1-cyclopentyl-4-methyl-1H-pyrazol-5-amine

• ChemBase ID: 307342
• Molecular Formular: C9H15N3
• Molecular Mass: 165.2355
• Monoisotopic Mass: 165.1265975
• SMILES: n1(c(c(cn1)C)N)C1CCCC1
• Canonical SMILES: Nc1c(C)cnn1C1CCCC1
• InChI: InChI=1S/C9H15N3/c1-7-6-11-12(9(7)10)8-4-2-3-5-8/h6,8H,2-5,10H2,1H3
• InChIKey: BFFFJOQCUYPKGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-4-methyl-1H-pyrazol-5-amine
• IUPAC Traditional name: 2-cyclopentyl-4-methylpyrazol-3-amine
• Synonyms: 1-cyclopentyl-4-methyl-1H-pyrazol-5-amine

Database IDs

• CAS Number: 936940-47-5
• MDL Number: MFCD08457383

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5253181
• LogD (pH = 7.4): 1.5295401
• Log P: 1.5295942
• Molar Refractivity: 60.3695 cm^3
• Polarizability: 18.43076 Å^3
• Polar Surface Area: 43.84 Å^2