5-cyclopropyl-3-methyl-1H-pyrazole

• ChemBase ID: 308966
• Molecular Formular: C7H10N2
• Molecular Mass: 122.1677
• Monoisotopic Mass: 122.08439833
• SMILES: c1([nH]nc(c1)C)C1CC1
• Canonical SMILES: Cc1cc([nH]n1)C1CC1
• InChI: InChI=1S/C7H10N2/c1-5-4-7(9-8-5)6-2-3-6/h4,6H,2-3H2,1H3,(H,8,9)
• InChIKey: WDRXGHDARKWPNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclopropyl-3-methyl-1H-pyrazole
• IUPAC Traditional name: 3-cyclopropyl-5-methyl-2H-pyrazole
• Synonyms: 5-cyclopropyl-3-methyl-1H-pyrazole

Database IDs

• MDL Number: MFCD20502732

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.028798
• LogD (pH = 7.4): 1.0320885
• Log P: 1.0321306
• Molar Refractivity: 36.68 cm^3
• Polarizability: 13.610362 Å^3
• Polar Surface Area: 28.68 Å^2