1-cyclopropyl-4-iodo-1H-pyrazole

• ChemBase ID: 292414
• Molecular Formular: C6H7IN2
• Molecular Mass: 234.03765
• Monoisotopic Mass: 233.96539623
• SMILES: Ic1cn(nc1)C1CC1
• Canonical SMILES: Ic1cnn(c1)C1CC1
• InChI: InChI=1S/C6H7IN2/c7-5-3-8-9(4-5)6-1-2-6/h3-4,6H,1-2H2
• InChIKey: JBWOMLVMUQFTFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropyl-4-iodo-1H-pyrazole
• IUPAC Traditional name: 1-cyclopropyl-4-iodopyrazole
• Synonyms: 1-Cyclopropyl-4-iodo-1H-pyrazole

Database IDs

• CAS Number: 1239363-40-6
• PubChem SID: 180677945
• PubChem CID: 57516618

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7955906
• LogD (pH = 7.4): 1.7956146
• Log P: 1.7956148
• Molar Refractivity: 55.5351 cm^3
• Polarizability: 17.146902 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%