7-aminopyrazolo[1,5-a]pyrimidine-6-carbonitrile

• ChemBase ID: 124834
• Molecular Formular: C7H5N5
• Molecular Mass: 159.1481
• Monoisotopic Mass: 159.05449519
• SMILES: n12c(c(cnc1ccn2)C#N)N
• Canonical SMILES: N#Cc1cnc2n(c1N)ncc2
• InChI: InChI=1S/C7H5N5/c8-3-5-4-10-6-1-2-11-12(6)7(5)9/h1-2,4H,9H2
• InChIKey: XBKLUCYMMSKAEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-aminopyrazolo[1,5-a]pyrimidine-6-carbonitrile
• IUPAC Traditional name: 7-aminopyrazolo[1,5-a]pyrimidine-6-carbonitrile
• Synonyms: 7-aminopyrazolo[1,5-a]pyrimidine-6-carbonitrile

Database IDs

• PubChem SID: 162219187
• PubChem CID: 2807616

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.2306038
• LogD (pH = 7.4): -0.2305666
• Log P: -0.23056613
• Molar Refractivity: 53.4489 cm^3
• Polarizability: 15.392792 Å^3
• Polar Surface Area: 80.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true