1-(1-methyl-1H-pyrazol-5-yl)propan-1-amine

• ChemBase ID: 143742
• Molecular Formular: C7H13N3
• Molecular Mass: 139.19822
• Monoisotopic Mass: 139.11094743
• SMILES: CCC(c1ccnn1C)N
• Canonical SMILES: CCC(c1ccnn1C)N
• InChI: InChI=1S/C7H13N3/c1-3-6(8)7-4-5-9-10(7)2/h4-6H,3,8H2,1-2H3
• InChIKey: NTGFKUWZGUGTFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1177334-24-5
• MDL Number: MFCD09864441
• PubChem SID: 162237959
• PubChem CID: 45791146

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5295389
• LogD (pH = 7.4): -1.2463018
• Log P: 0.38597286
• Molar Refractivity: 52.2551 cm^3
• Polarizability: 15.942936 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C7H13N3

DETAILS

Sigma Aldrich - CBR00298

Other Notes
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Legal Information
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