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

• ChemBase ID: 143679
• Molecular Formular: C9H10N4
• Molecular Mass: 174.2025
• Monoisotopic Mass: 174.09054634
• SMILES: Cn1c(cc(n1)c1cccnc1)N
• Canonical SMILES: Cn1nc(cc1N)c1cccnc1
• InChI: InChI=1S/C9H10N4/c1-13-9(10)5-8(12-13)7-3-2-4-11-6-7/h2-6H,10H2,1H3
• InChIKey: DOWIFHUJXYFHIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-3-(pyridin-3-yl)-1H-pyrazol-5-amine
• IUPAC Traditional name: 2-methyl-5-(pyridin-3-yl)pyrazol-3-amine
• Synonyms: 1-Methyl-3-pyridin-3-yl-1H-pyrazol-5-amine; 1-methyl-3-pyridin-3-yl-1H-pyrazol-5-amine

Database IDs

• CAS Number: 287494-25-1
• MDL Number: MFCD08059968
• PubChem SID: 162237896
• PubChem CID: 28064036

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.45655355
• LogD (pH = 7.4): 0.47661152
• Log P: 0.4768742
• Molar Refractivity: 61.5224 cm^3
• Polarizability: 20.095957 Å^3
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C9H10N4

DETAILS

Sigma Aldrich - CBR00258

Other Notes
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Legal Information
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