1-cyclopropyl-1H-pyrazole

• ChemBase ID: 292417
• Molecular Formular: C6H8N2
• Molecular Mass: 108.14112
• Monoisotopic Mass: 108.06874827
• SMILES: C1CC1n1cccn1
• Canonical SMILES: c1cnn(c1)C1CC1
• InChI: InChI=1S/C6H8N2/c1-4-7-8(5-1)6-2-3-6/h1,4-6H,2-3H2
• InChIKey: YWLZMOUAZWHRFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropyl-1H-pyrazole
• IUPAC Traditional name: 1-cyclopropylpyrazole
• Synonyms: 1-Cyclopropyl-1H-pyrazole

Database IDs

• CAS Number: 1151814-36-6
• PubChem SID: 180677948
• PubChem CID: 52141942

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.86654365
• LogD (pH = 7.4): 0.8666688
• Log P: 0.8666704
• Molar Refractivity: 42.1726 cm^3
• Polarizability: 11.848515 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%