3-methyl-1-propyl-1H-pyrazol-4-amine

• ChemBase ID: 120808
• Molecular Formular: C7H13N3
• Molecular Mass: 139.19822
• Monoisotopic Mass: 139.11094743
• SMILES: n1c(c(cn1CCC)N)C
• Canonical SMILES: CCCn1cc(c(n1)C)N
• InChI: InChI=1S/C7H13N3/c1-3-4-10-5-7(8)6(2)9-10/h5H,3-4,8H2,1-2H3
• InChIKey: SJJYIHVZMQPOMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-1-propyl-1H-pyrazol-4-amine
• IUPAC Traditional name: 3-methyl-1-propylpyrazol-4-amine
• Synonyms: 3-methyl-1-propyl-1H-pyrazol-4-amine

Database IDs

• PubChem SID: 162215161
• PubChem CID: 19620835

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5824515
• LogD (pH = 7.4): 0.582875
• Log P: 0.58288044
• Molar Refractivity: 53.5259 cm^3
• Polarizability: 15.47651 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true