7-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

• ChemBase ID: 42183
• Molecular Formular: C10H8N4
• Molecular Mass: 184.19732
• Monoisotopic Mass: 184.07489628
• SMILES: c1(cnn2c1nccc2C1CC1)C#N
• Canonical SMILES: N#Cc1cnn2c1nccc2C1CC1
• InChI: InChI=1S/C10H8N4/c11-5-8-6-13-14-9(7-1-2-7)3-4-12-10(8)14/h3-4,6-7H,1-2H2
• InChIKey: CNTLWKOXJAQYQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
• IUPAC Traditional name: 7-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
• Synonyms: 7-Cyclopropylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

Database IDs

• MDL Number: MFCD03305760
• PubChem SID: 162046946
• PubChem CID: 1485518

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1323962
• LogD (pH = 7.4): 1.1323994
• Log P: 1.1323994
• Molar Refractivity: 61.8383 cm^3
• Polarizability: 18.949886 Å^3
• Polar Surface Area: 53.98 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 165 - 167 °C; 165-167°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%