5-cyclopropyl-1-(propan-2-yl)-1H-pyrazol-4-amine hydrochloride

• ChemBase ID: 244348
• Molecular Formular: C9H16ClN3
• Molecular Mass: 201.69644
• Monoisotopic Mass: 201.10327521
• SMILES: n1(c(c(cn1)N)C1CC1)C(C)C.Cl
• Canonical SMILES: CC(n1ncc(c1C1CC1)N)C.Cl
• InChI: InChI=1S/C9H15N3.ClH/c1-6(2)12-9(7-3-4-7)8(10)5-11-12;/h5-7H,3-4,10H2,1-2H3;1H
• InChIKey: LPEKSPWKLDJLIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclopropyl-1-(propan-2-yl)-1H-pyrazol-4-amine hydrochloride
• IUPAC Traditional name: 5-cyclopropyl-1-isopropylpyrazol-4-amine hydrochloride
• Synonyms: 5-cyclopropyl-1-(propan-2-yl)-1H-pyrazol-4-amine hydrochloride

Database IDs

• MDL Number: MFCD22628507
• PubChem SID: 164300258
• PubChem CID: 71757483

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9688288
• LogD (pH = 7.4): 0.96889275
• Log P: 0.9688935
• Molar Refractivity: 61.1723 cm^3
• Polarizability: 18.430334 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.723

Product Information

• Purity: 95%