5-cyclopropyl-1-propyl-1H-pyrazol-4-amine hydrochloride

• ChemBase ID: 245575
• Molecular Formular: C9H16ClN3
• Molecular Mass: 201.69644
• Monoisotopic Mass: 201.10327521
• SMILES: c1(n(ncc1N)CCC)C1CC1.Cl
• Canonical SMILES: CCCn1ncc(c1C1CC1)N.Cl
• InChI: InChI=1S/C9H15N3.ClH/c1-2-5-12-9(7-3-4-7)8(10)6-11-12;/h6-7H,2-5,10H2,1H3;1H
• InChIKey: CLZGUGUJPTZEHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclopropyl-1-propyl-1H-pyrazol-4-amine hydrochloride
• IUPAC Traditional name: 5-cyclopropyl-1-propylpyrazol-4-amine hydrochloride
• Synonyms: 5-cyclopropyl-1-propyl-1H-pyrazol-4-amine hydrochloride

Database IDs

• PubChem SID: 164301485
• PubChem CID: 71757741

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0747726
• LogD (pH = 7.4): 1.0748401
• Log P: 1.0748409
• Molar Refractivity: 61.2775 cm^3
• Polarizability: 18.430489 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149 - 151°C
• Hydrophobicity(logP): 0.943

Product Information

• Purity: 95%