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

• ChemBase ID: 16727
• Molecular Formular: C9H15N3
• Molecular Mass: 165.2355
• Monoisotopic Mass: 165.1265975
• SMILES: n1(C2CCCC2)nc(cc1N)C
• Canonical SMILES: Nc1cc(nn1C1CCCC1)C
• InChI: InChI=1S/C9H15N3/c1-7-6-9(10)12(11-7)8-4-2-3-5-8/h6,8H,2-5,10H2,1H3
• InChIKey: MNOPOOFSVGTODG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 30241-37-3
• MDL Number: MFCD03627811
• PubChem SID: 160980034
• PubChem CID: 3152524

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1216117
• LogD (pH = 7.4): 1.1472067
• Log P: 1.147543
• Molar Refractivity: 59.9198 cm^3
• Polarizability: 18.42818 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false