2,7-dimethyl-N-(1H-1,2,3,4-tetrazol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

• ChemBase ID: 681897
• Molecular Formular: C11H12N8O
• Molecular Mass: 272.26598
• Monoisotopic Mass: 272.11340704
• SMILES: c12n(nc(c2)C)c(cc(n1)C(=O)NCc1nnn[nH]1)C
• Canonical SMILES: Cc1nn2c(c1)nc(cc2C)C(=O)NCc1nnn[nH]1
• InChI: InChI=1S/C11H12N8O/c1-6-3-10-13-8(4-7(2)19(10)16-6)11(20)12-5-9-14-17-18-15-9/h3-4H,5H2,1-2H3,(H,12,20)(H,14,15,17,18)
• InChIKey: RTUXUJVKXOLXLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,7-dimethyl-N-(1H-1,2,3,4-tetrazol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
• IUPAC Traditional name: 2,7-dimethyl-N-(1H-1,2,3,4-tetrazol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
• Synonyms: 2,7-dimethyl-N-(1H-tetrazol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 4.1138625
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -1.7039323
• LogD (pH = 7.4): -2.1053894
• Log P: -0.5871098
• Molar Refractivity: 83.3181 cm^3
• Polarizability: 25.392118 Å^3
• Polar Surface Area: 113.75 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: -0.7
• LOG S: -1.9
• Polar Surface Area: 113.75 Å^2
• Rotatable Bonds: 3