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

• ChemBase ID: 246133
• Molecular Formular: C4H10ClN3
• Molecular Mass: 135.5953
• Monoisotopic Mass: 135.05632502
• SMILES: N1=C(CCN1C)N.Cl
• Canonical SMILES: CN1CCC(=N1)N.Cl
• InChI: InChI=1S/C4H9N3.ClH/c1-7-3-2-4(5)6-7;/h2-3H2,1H3,(H2,5,6);1H
• InChIKey: MUKSQSIEVOWLTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164302043
• PubChem CID: 71757889

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.5436397
• LogD (pH = 7.4): -2.823437
• Log P: -1.1528239
• Molar Refractivity: 27.8788 cm^3
• Polarizability: 10.663112 Å^3
• Polar Surface Area: 41.62 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 - 171°C
• Hydrophobicity(logP): -0.06

Product Information

• Purity: 95%