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

• ChemBase ID: 239263
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: n1[nH]c(cc1CC1CC1)N
• Canonical SMILES: Nc1[nH]nc(c1)CC1CC1
• InChI: InChI=1S/C7H11N3/c8-7-4-6(9-10-7)3-5-1-2-5/h4-5H,1-3H2,(H3,8,9,10)
• InChIKey: LPERNHZGUOJPEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16665734
• PubChem SID: 164295173
• PubChem CID: 61562360

CALCULATED PROPERTIES

• Acid pKa: 14.67749
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.6087767
• LogD (pH = 7.4): 0.6371882
• Log P: 0.63756275
• Molar Refractivity: 40.2649 cm^3
• Polarizability: 14.828735 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.106

Product Information

• Purity: 95%