3-(cyclopropylmethyl)-1-phenyl-1H-pyrazol-5-amine

• ChemBase ID: 242070
• Molecular Formular: C13H15N3
• Molecular Mass: 213.2783
• Monoisotopic Mass: 213.1265975
• SMILES: n1(c(cc(n1)CC1CC1)N)c1ccccc1
• Canonical SMILES: Nc1cc(nn1c1ccccc1)CC1CC1
• InChI: InChI=1S/C13H15N3/c14-13-9-11(8-10-6-7-10)15-16(13)12-4-2-1-3-5-12/h1-5,9-10H,6-8,14H2
• InChIKey: LEEVXELHSQOZSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(cyclopropylmethyl)-1-phenyl-1H-pyrazol-5-amine
• IUPAC Traditional name: 5-(cyclopropylmethyl)-2-phenylpyrazol-3-amine
• Synonyms: 3-(cyclopropylmethyl)-1-phenyl-1H-pyrazol-5-amine

Database IDs

• MDL Number: MFCD16665739
• PubChem SID: 164297980
• PubChem CID: 61562363

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4109082
• LogD (pH = 7.4): 2.419092
• Log P: 2.4191973
• Molar Refractivity: 64.9392 cm^3
• Polarizability: 25.118832 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.654

Product Information

• Purity: 95%