1-(cyclohex-3-en-1-ylmethyl)-1H-pyrazol-5-amine

• ChemBase ID: 307331
• Molecular Formular: C10H15N3
• Molecular Mass: 177.2462
• Monoisotopic Mass: 177.1265975
• SMILES: n1(c(ccn1)N)CC1CC=CCC1
• Canonical SMILES: Nc1ccnn1CC1CCC=CC1
• InChI: InChI=1S/C10H15N3/c11-10-6-7-12-13(10)8-9-4-2-1-3-5-9/h1-2,6-7,9H,3-5,8,11H2
• InChIKey: LADCMDDDHRHNGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclohex-3-en-1-ylmethyl)-1H-pyrazol-5-amine
• IUPAC Traditional name: 2-(cyclohex-3-en-1-ylmethyl)pyrazol-3-amine
• Synonyms: 1-(cyclohex-3-en-1-ylmethyl)-1H-pyrazol-5-amine

Database IDs

• CAS Number: 1015845-93-8
• MDL Number: MFCD08457377

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4100982
• LogD (pH = 7.4): 1.4137853
• Log P: 1.4138325
• Molar Refractivity: 65.7767 cm^3
• Polarizability: 20.10951 Å^3
• Polar Surface Area: 43.84 Å^2