1,5-dimethyl-4,5-dihydro-1H-pyrazol-3-amine hydrochloride

• ChemBase ID: 246403
• Molecular Formular: C5H12ClN3
• Molecular Mass: 149.62188
• Monoisotopic Mass: 149.07197508
• SMILES: N1=C(CC(N1C)C)N.Cl
• Canonical SMILES: NC1=NN(C(C1)C)C.Cl
• InChI: InChI=1S/C5H11N3.ClH/c1-4-3-5(6)7-8(4)2;/h4H,3H2,1-2H3,(H2,6,7);1H
• InChIKey: AJAVPBJMBAWFBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5-dimethyl-4,5-dihydro-1H-pyrazol-3-amine hydrochloride
• IUPAC Traditional name: 1,5-dimethyl-4,5-dihydropyrazol-3-amine hydrochloride
• Synonyms: 1,5-dimethyl-4,5-dihydro-1H-pyrazol-3-amine hydrochloride

Database IDs

• PubChem SID: 164302313
• PubChem CID: 71757977

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.121764
• LogD (pH = 7.4): -2.3354573
• Log P: -0.7362489
• Molar Refractivity: 32.2976 cm^3
• Polarizability: 12.501058 Å^3
• Polar Surface Area: 41.62 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 179 - 181°C
• Hydrophobicity(logP): 0.459

Product Information

• Purity: 95%