Home > Compound List > Compound details
92406-50-3 molecular structure
click picture or here to close

1-methyl-3-(pyridin-2-yl)-1H-pyrazol-5-amine

ChemBase ID: 307414
Molecular Formular: C9H10N4
Molecular Mass: 174.2025
Monoisotopic Mass: 174.09054634
SMILES and InChIs

SMILES:
n1c(cc(n1C)N)c1ncccc1
Canonical SMILES:
Nc1cc(nn1C)c1ccccn1
InChI:
InChI=1S/C9H10N4/c1-13-9(10)6-8(12-13)7-4-2-3-5-11-7/h2-6H,10H2,1H3
InChIKey:
KUVAOFOJAQWKJR-UHFFFAOYSA-N

Cite this record

CBID:307414 http://www.chembase.cn/molecule-307414.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methyl-3-(pyridin-2-yl)-1H-pyrazol-5-amine
IUPAC Traditional name
2-methyl-5-(pyridin-2-yl)pyrazol-3-amine
Synonyms
1-methyl-3-pyridin-2-yl-1H-pyrazol-5-amine
CAS Number
92406-50-3
MDL Number
MFCD08059967

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4015288 external link Add to cart
Data Source Data ID Price
ChemBridge
4015288 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) 0.8622242  LogD (pH = 7.4) 0.8627182 
Log P 0.86272454  Molar Refractivity 61.1504 cm3
Polarizability 20.102188 Å3 Polar Surface Area 56.73 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