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

• ChemBase ID: 249238
• Molecular Formular: C9H15N3
• Molecular Mass: 165.2355
• Monoisotopic Mass: 165.1265975
• SMILES: n1n(c(cc1C1CCCC1)N)C
• Canonical SMILES: Nc1cc(nn1C)C1CCCC1
• InChI: InChI=1S/C9H15N3/c1-12-9(10)6-8(11-12)7-4-2-3-5-7/h6-7H,2-5,10H2,1H3
• InChIKey: PXNZHABCJRZBQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08669405
• PubChem SID: 164305148
• PubChem CID: 11367197

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4451265
• LogD (pH = 7.4): 1.4615611
• Log P: 1.4617747
• Molar Refractivity: 60.1078 cm^3
• Polarizability: 18.427734 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.303

Product Information

• Purity: 95%