1-cyclopentyl-1H-pyrazol-5-amine

• ChemBase ID: 13360
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: c1cnn(c1N)C1CCCC1
• Canonical SMILES: Nc1ccnn1C1CCCC1
• InChI: InChI=1S/C8H13N3/c9-8-5-6-10-11(8)7-3-1-2-4-7/h5-7H,1-4,9H2
• InChIKey: AFGOKLFLQUOZEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-1H-pyrazol-5-amine
• IUPAC Traditional name: 2-cyclopentylpyrazol-3-amine
• Synonyms: 1-cyclopentyl-1H-pyrazol-5-amine; 2-Cyclopentyl-2H-pyrazol-3-ylamine

Database IDs

• CAS Number: 3702-09-8
• MDL Number: MFCD03596775
• PubChem SID: 160976667
• PubChem CID: 1079792

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.012676
• LogD (pH = 7.4): 1.0161285
• Log P: 1.0161728
• Molar Refractivity: 55.3283 cm^3
• Polarizability: 16.667545 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 45 - 47°C
• Hydrophobicity(logP): 0.944

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%