3-methyl-1-(2-methylpropyl)-1H-pyrazol-5-amine

• ChemBase ID: 307333
• Molecular Formular: C8H15N3
• Molecular Mass: 153.2248
• Monoisotopic Mass: 153.1265975
• SMILES: n1(c(cc(n1)C)N)CC(C)C
• Canonical SMILES: CC(Cn1nc(cc1N)C)C
• InChI: InChI=1S/C8H15N3/c1-6(2)5-11-8(9)4-7(3)10-11/h4,6H,5,9H2,1-3H3
• InChIKey: IWIDVCGRTHJZHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-1-(2-methylpropyl)-1H-pyrazol-5-amine
• IUPAC Traditional name: 5-methyl-2-(2-methylpropyl)pyrazol-3-amine
• Synonyms: 1-isobutyl-3-methyl-1H-pyrazol-5-amine

Database IDs

• CAS Number: 3524-36-5
• MDL Number: MFCD06805200

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.009412
• LogD (pH = 7.4): 1.0367839
• Log P: 1.0371443
• Molar Refractivity: 57.2508 cm^3
• Polarizability: 17.31493 Å^3
• Polar Surface Area: 43.84 Å^2