1-(1-cyclopropylethyl)-1H-pyrazol-5-amine hydrochloride

• ChemBase ID: 235012
• Molecular Formular: C8H14ClN3
• Molecular Mass: 187.66986
• Monoisotopic Mass: 187.08762514
• SMILES: n1(c(ccn1)N)C(C1CC1)C.Cl
• Canonical SMILES: CC(n1nccc1N)C1CC1.Cl
• InChI: InChI=1S/C8H13N3.ClH/c1-6(7-2-3-7)11-8(9)4-5-10-11;/h4-7H,2-3,9H2,1H3;1H
• InChIKey: LLVAFXNSXMXATI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-cyclopropylethyl)-1H-pyrazol-5-amine hydrochloride
• IUPAC Traditional name: 2-(1-cyclopropylethyl)pyrazol-3-amine hydrochloride
• Synonyms: 1-(1-cyclopropylethyl)-1H-pyrazol-5-amine hydrochloride

Database IDs

• MDL Number: MFCD07308433
• PubChem SID: 164290922
• PubChem CID: 20994926

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.85512674
• LogD (pH = 7.4): 0.85857904
• Log P: 0.8586232
• Molar Refractivity: 55.2759 cm^3
• Polarizability: 16.667545 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.754

Product Information

• Purity: 95%
• Salt Data: HCl