[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]methanamine hydrochloride

• ChemBase ID: 310247
• Molecular Formular: C9H18ClN3
• Molecular Mass: 203.71232
• Monoisotopic Mass: 203.11892527
• SMILES: n1(nc(c(c1C)CN)C)C(C)C.Cl
• Canonical SMILES: NCc1c(C)nn(c1C)C(C)C.Cl
• InChI: InChI=1S/C9H17N3.ClH/c1-6(2)12-8(4)9(5-10)7(3)11-12;/h6H,5,10H2,1-4H3;1H
• InChIKey: NTGFYPPMXIGGHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]methanamine hydrochloride
• IUPAC Traditional name: (1-isopropyl-3,5-dimethylpyrazol-4-yl)methanamine hydrochloride
• Synonyms: [(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]amine hydrochloride

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2953794
• LogD (pH = 7.4): -1.0453945
• Log P: 0.6311888
• Molar Refractivity: 62.3434 cm^3
• Polarizability: 19.46829 Å^3
• Polar Surface Area: 43.84 Å^2