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19541-96-9 molecular structure
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3-methyl-1-(pyridin-2-yl)-1H-pyrazol-5-amine

ChemBase ID: 18771
Molecular Formular: C9H10N4
Molecular Mass: 174.2025
Monoisotopic Mass: 174.09054634
SMILES and InChIs

SMILES:
n1(c(cc(n1)C)N)c1ncccc1
Canonical SMILES:
Cc1nn(c(c1)N)c1ccccn1
InChI:
InChI=1S/C9H10N4/c1-7-6-8(10)13(12-7)9-4-2-3-5-11-9/h2-6H,10H2,1H3
InChIKey:
BDTNHFVPZQIZFD-UHFFFAOYSA-N

Cite this record

CBID:18771 http://www.chembase.cn/molecule-18771.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-methyl-1-(pyridin-2-yl)-1H-pyrazol-5-amine
IUPAC Traditional name
5-methyl-2-(pyridin-2-yl)pyrazol-3-amine
Synonyms
3-methyl-1-pyridin-2-yl-1H-pyrazol-5-amine
3-methyl-1-(pyridin-2-yl)-1H-pyrazol-5-amine
5-Methyl-2-pyridin-2-yl-2H-pyrazol-3-ylamine
CAS Number
19541-96-9
MDL Number
MFCD02708434
PubChem SID
160982078
PubChem CID
735132

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.81994987  LogD (pH = 7.4) 0.8274877 
Log P 0.8275846  Molar Refractivity 51.1215 cm3
Polarizability 18.7329 Å3 Polar Surface Area 56.73 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
102 - 104°C expand Show data source
Partition Coefficient
0.93453 expand Show data source
Hydrophobicity(logP)
0.906 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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