Home > Compound List > Compound details
916420-28-5 molecular structure
click picture or here to close

1H-pyrazol-5-amine

ChemBase ID: 33707
Molecular Formular: C3H5N3
Molecular Mass: 83.0919
Monoisotopic Mass: 83.04834718
SMILES and InChIs

SMILES:
n1c(cc[nH]1)N
Canonical SMILES:
Nc1cc[nH]n1
InChI:
InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)
InChIKey:
JVVRJMXHNUAPHW-UHFFFAOYSA-N

Cite this record

CBID:33707 http://www.chembase.cn/molecule-33707.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1H-pyrazol-5-amine
1H-pyrazol-3-amine
IUPAC Traditional name
2H-pyrazol-3-amine
1H-pyrazol-3-amine
Synonyms
3-Amino-1H-pyrazole 97%
1H-Pyrazol-3-amine
3-Amino-1H-pyrazole 94%
1H-Pyrazol-5-amine
5-Amino-1H-pyrazole
1H-pyrazol-5-amine
5-Pyrazolamine
NSC 76122
3-Aminopyrazole
1H-Pyrazole-5-amine
1H-Pyrazol-3-amine
3-AP
3-Pyrazolamine
3-Aminopyrazole
3-Amino-1H-pyrazole
1-H-5-氨基吡唑
3-氨基吡唑
3-氨基-1H-吡唑
CAS Number
916420-28-5
1820-80-0
EC Number
217-338-1
MDL Number
MFCD08700632
MFCD00005236
Beilstein Number
1618
PubChem SID
24849882
160997014
24846318
PubChem CID
74561

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.072573  H Acceptors
H Donor LogD (pH = 5.5) -0.4677378 
LogD (pH = 7.4) -0.46227533  Log P -0.46220514 
Molar Refractivity 23.6991 cm3 Polarizability 8.286548 Å3
Polar Surface Area 54.7 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Low-Melting Yellow Solid expand Show data source
Melting Point
33-39°C expand Show data source
34-37 °C(lit.) expand Show data source
34-39°C expand Show data source
37-39°C expand Show data source
Boiling Point
218 °C/122 mmHg(lit.) expand Show data source
218°C/122mm expand Show data source
218°C/122mm expand Show data source
Flash Point
>110 °C expand Show data source
>110°C expand Show data source
>110°C(230°F) expand Show data source
>230 °F expand Show data source
Hydrophobicity(logP)
-0.136 expand Show data source
Storage Condition
Amber Vial, Refrigerator expand Show data source
Storage Warning
Air & Light Sensitive expand Show data source
Corrosive/Harmful/Air Sensitive/Light Sensitive/Store under Argon/Keep Cold expand Show data source
Harmful/Irritant/Keep Cold expand Show data source
IRRITANT expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
X expand Show data source
UN Number
3263 expand Show data source
UN3259 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
22-34 expand Show data source
22-34-43 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H314 expand Show data source
H314-H318-H302-H317 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
P280-P305+P351+P338-P309-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 3263 8/PG 2 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥95% (NT) expand Show data source
95% expand Show data source
95+% expand Show data source
97% expand Show data source
98% expand Show data source
Grade
technical expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C3H5N3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - 160644 external link
Application
Employed in a one-pot synthesis of pyrazolopyrimidines.1
Used in the preparation of heterocyclic compounds of pharmaceutical interest.
Packaging
2.5, 10 g in glass bottle
Toronto Research Chemicals - A628950 external link
Used in the preparation of heterocyclic compounds of pharamaceutical interest.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Di Fabio, R., et al.: J. Med. Chem., 51, 7370 (2008)
  • • Vaccaro, W., et al.: Bioorg. Med. Chem. Lett., 18, 6381 (2008)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle