3-cyclopropyl-1H-pyrazol-5-amine hydrochloride

• ChemBase ID: 70389
• Molecular Formular: C6H10ClN3
• Molecular Mass: 159.6167
• Monoisotopic Mass: 159.05632502
• SMILES: [nH]1nc(cc1N)C1CC1.Cl
• Canonical SMILES: Nc1[nH]nc(c1)C1CC1.Cl
• InChI: InChI=1S/C6H9N3.ClH/c7-6-3-5(8-9-6)4-1-2-4;/h3-4H,1-2H2,(H3,7,8,9);1H
• InChIKey: YWNDZOPEUJWLML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-cyclopropyl-1H-pyrazol-5-amine hydrochloride; 5-cyclopropyl-1H-pyrazol-3-amine hydrochloride
• IUPAC Traditional name: 5-cyclopropyl-2H-pyrazol-3-amine hydrochloride; 5-cyclopropyl-1H-pyrazol-3-amine hydrochloride
• Synonyms: 3-Cyclopropyl-1H-pyrazol-5-amine hydrochloride; 5-Cyclopropyl-1H-pyrazol-3-aMine hydrochloride

Database IDs

• CAS Number: 1031791-16-8
• MDL Number: MFCD08702764
• PubChem SID: 162103493
• PubChem CID: 16495339

CALCULATED PROPERTIES

• Acid pKa: 16.08534
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.64539826
• LogD (pH = 7.4): 0.66602266
• Log P: 0.666292
• Molar Refractivity: 37.1024 cm^3
• Polarizability: 12.98615 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%