1-(cyclopropylmethyl)-1H-pyrazole-5-carbaldehyde

• ChemBase ID: 292004
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: O=Cc1ccnn1CC1CC1
• Canonical SMILES: O=Cc1ccnn1CC1CC1
• InChI: InChI=1S/C8H10N2O/c11-6-8-3-4-9-10(8)5-7-1-2-7/h3-4,6-7H,1-2,5H2
• InChIKey: CPPPGXQTPFMECZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopropylmethyl)-1H-pyrazole-5-carbaldehyde
• IUPAC Traditional name: 2-(cyclopropylmethyl)pyrazole-3-carbaldehyde
• Synonyms: 1-(Cyclopropylmethyl)-1H-pyrazole-5-carbaldehyde

Database IDs

• CAS Number: 1236365-97-1
• MDL Number: MFCD18251009
• PubChem SID: 180677535
• PubChem CID: 54759083

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.8141722
• LogD (pH = 7.4): 0.81418645
• Log P: 0.81418663
• Molar Refractivity: 53.3649 cm^3
• Polarizability: 15.605857 Å^3
• Polar Surface Area: 34.89 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%