5-cyclopropyl-1-methyl-1H-pyrazole-4-carbaldehyde

• ChemBase ID: 309490
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: c1(c(cnn1C)C=O)C1CC1
• Canonical SMILES: O=Cc1cnn(c1C1CC1)C
• InChI: InChI=1S/C8H10N2O/c1-10-8(6-2-3-6)7(5-11)4-9-10/h4-6H,2-3H2,1H3
• InChIKey: IOBBCYDUCNTMEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclopropyl-1-methyl-1H-pyrazole-4-carbaldehyde
• IUPAC Traditional name: 5-cyclopropyl-1-methylpyrazole-4-carbaldehyde
• Synonyms: 5-cyclopropyl-1-methyl-1H-pyrazole-4-carbaldehyde

Database IDs

• CAS Number: 1215295-85-4
• MDL Number: MFCD14702927

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.73688376
• LogD (pH = 7.4): 0.7369382
• Log P: 0.73693883
• Molar Refractivity: 53.8885 cm^3
• Polarizability: 15.527158 Å^3
• Polar Surface Area: 34.89 Å^2