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

• ChemBase ID: 244421
• Molecular Formular: C9H15N3
• Molecular Mass: 165.2355
• Monoisotopic Mass: 165.1265975
• SMILES: n1(ncc(c1C)N)C1CCCC1
• Canonical SMILES: Cc1c(N)cnn1C1CCCC1
• InChI: InChI=1S/C9H15N3/c1-7-9(10)6-11-12(7)8-4-2-3-5-8/h6,8H,2-5,10H2,1H3
• InChIKey: HZDQVPGWUZEHRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD06805451
• PubChem SID: 164300331
• PubChem CID: 19620097

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1263559
• LogD (pH = 7.4): 1.126442
• Log P: 1.1264431
• Molar Refractivity: 61.2247 cm^3
• Polarizability: 18.431458 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.163

Product Information

• Purity: 95%