4-chloro-1-cyclopropyl-1H-pyrazole

• ChemBase ID: 292416
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: Clc1cn(nc1)C1CC1
• Canonical SMILES: Clc1cnn(c1)C1CC1
• InChI: InChI=1S/C6H7ClN2/c7-5-3-8-9(4-5)6-1-2-6/h3-4,6H,1-2H2
• InChIKey: AMCACDYDDKZGEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-1-cyclopropyl-1H-pyrazole
• IUPAC Traditional name: 4-chloro-1-cyclopropylpyrazole
• Synonyms: 4-Chloro-1-cyclopropyl-1H-pyrazole

Database IDs

• CAS Number: 1204901-66-5
• PubChem SID: 180677947
• PubChem CID: 52142209

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4707012
• LogD (pH = 7.4): 1.4707149
• Log P: 1.470715
• Molar Refractivity: 46.9774 cm^3
• Polarizability: 13.782205 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%