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

• ChemBase ID: 38007
• Molecular Formular: C5H10ClN3
• Molecular Mass: 147.606
• Monoisotopic Mass: 147.05632502
• SMILES: n1n(c(c(c1)N)C)C.Cl
• Canonical SMILES: Cc1c(N)cnn1C.Cl
• InChI: InChI=1S/C5H9N3.ClH/c1-4-5(6)3-7-8(4)2;/h3H,6H2,1-2H3;1H
• InChIKey: JDJXZPNDEYXBRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5-dimethyl-1H-pyrazol-4-amine hydrochloride
• IUPAC Traditional name: 1,5-dimethylpyrazol-4-amine hydrochloride
• Synonyms: 1,5-Dimethyl-1H-pyrazol-4-amine hydrochloride

Database IDs

• MDL Number: MFCD11100176
• PubChem SID: 161001314
• PubChem CID: 46737045

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.22835782
• LogD (pH = 7.4): -0.22826001
• Log P: -0.22825876
• Molar Refractivity: 44.8115 cm^3
• Polarizability: 11.800783 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Salt Data: HCl