(1-cyclopentyl-1H-pyrazol-3-yl)methanamine

• ChemBase ID: 240850
• Molecular Formular: C9H15N3
• Molecular Mass: 165.2355
• Monoisotopic Mass: 165.1265975
• SMILES: n1n(ccc1CN)C1CCCC1
• Canonical SMILES: NCc1ccn(n1)C1CCCC1
• InChI: InChI=1S/C9H15N3/c10-7-8-5-6-12(11-8)9-3-1-2-4-9/h5-6,9H,1-4,7,10H2
• InChIKey: ONNPLFFJTVZEEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-cyclopentyl-1H-pyrazol-3-yl)methanamine
• IUPAC Traditional name: (1-cyclopentylpyrazol-3-yl)methanamine
• Synonyms: (1-cyclopentyl-1H-pyrazol-3-yl)methanamine

Database IDs

• MDL Number: MFCD20186149
• PubChem SID: 164296760
• PubChem CID: 64448980

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6848161
• LogD (pH = 7.4): -0.05404667
• Log P: 0.96304804
• Molar Refractivity: 59.3258 cm^3
• Polarizability: 18.898188 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.681

Product Information

• Purity: 95%