Home > Compound List > Compound details
1006469-86-8 molecular structure
click picture or here to close

3-(5-cyclopropyl-1H-pyrazol-1-yl)propan-1-amine

ChemBase ID: 309311
Molecular Formular: C9H15N3
Molecular Mass: 165.2355
Monoisotopic Mass: 165.1265975
SMILES and InChIs

SMILES:
c1(n(ncc1)CCCN)C1CC1
Canonical SMILES:
NCCCn1nccc1C1CC1
InChI:
InChI=1S/C9H15N3/c10-5-1-7-12-9(4-6-11-12)8-2-3-8/h4,6,8H,1-3,5,7,10H2
InChIKey:
XLHPUYCMANUDIG-UHFFFAOYSA-N

Cite this record

CBID:309311 http://www.chembase.cn/molecule-309311.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(5-cyclopropyl-1H-pyrazol-1-yl)propan-1-amine
IUPAC Traditional name
3-(5-cyclopropylpyrazol-1-yl)propan-1-amine
Synonyms
3-(5-cyclopropyl-1H-pyrazol-1-yl)-1-propanamine
CAS Number
1006469-86-8
MDL Number
MFCD06805009

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4040051 external link Add to cart
Data Source Data ID Price
ChemBridge
4040051 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.7387443  LogD (pH = 7.4) -2.3774822 
Log P 0.28741243  Molar Refractivity 60.1197 cm3
Polarizability 18.820824 Å3 Polar Surface Area 43.84 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle