methyl[3-(1H-pyrazol-1-yl)propyl]amine

• ChemBase ID: 143849
• Molecular Formular: C7H13N3
• Molecular Mass: 139.19822
• Monoisotopic Mass: 139.11094743
• SMILES: CNCCCn1cccn1
• Canonical SMILES: CNCCCn1cccn1
• InChI: InChI=1S/C7H13N3/c1-8-4-2-6-10-7-3-5-9-10/h3,5,7-8H,2,4,6H2,1H3
• InChIKey: GIGRBVGROITPDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[3-(1H-pyrazol-1-yl)propyl]amine
• IUPAC Traditional name: methyl[3-(pyrazol-1-yl)propyl]amine
• Synonyms: N-Methyl-3-(1H-pyrazol-1-yl)propan-1-amine; N-methyl-3-(1H-pyrazol-1-yl)propan-1-amine

Database IDs

• CAS Number: 1007488-78-9
• MDL Number: MFCD08701102
• PubChem SID: 162238066
• PubChem CID: 23006130

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1355333
• LogD (pH = 7.4): -2.6919057
• Log P: 0.0966622
• Molar Refractivity: 52.5512 cm^3
• Polarizability: 15.946599 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C7H13N3

DETAILS

Sigma Aldrich - CBR00276

Other Notes
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Legal Information
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