(3-cyclopropyl-1H-pyrazol-4-yl)methanamine hydrochloride

• ChemBase ID: 246076
• Molecular Formular: C7H12ClN3
• Molecular Mass: 173.64328
• Monoisotopic Mass: 173.07197508
• SMILES: c1(c(c[nH]n1)CN)C1CC1.Cl
• Canonical SMILES: NCc1c[nH]nc1C1CC1.Cl
• InChI: InChI=1S/C7H11N3.ClH/c8-3-6-4-9-10-7(6)5-1-2-5;/h4-5H,1-3,8H2,(H,9,10);1H
• InChIKey: OFAPTQBZJZSDMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-cyclopropyl-1H-pyrazol-4-yl)methanamine hydrochloride
• IUPAC Traditional name: (3-cyclopropyl-1H-pyrazol-4-yl)methanamine hydrochloride
• Synonyms: (3-cyclopropyl-1H-pyrazol-4-yl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD23144216
• PubChem SID: 164301986
• PubChem CID: 71757877

CALCULATED PROPERTIES

• Acid pKa: 14.7877035
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.60935
• LogD (pH = 7.4): -1.3511326
• Log P: 0.31436464
• Molar Refractivity: 40.2095 cm^3
• Polarizability: 15.212937 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.144

Product Information

• Purity: 95%