N,5,7-trimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

• ChemBase ID: 695275
• Molecular Formular: C20H22N4O
• Molecular Mass: 334.41488
• Monoisotopic Mass: 334.17936134
• SMILES: c12c(C(=O)N(C3c4c(CCC3)cccc4)C)cnn1c(cc(n2)C)C
• Canonical SMILES: Cc1cc(C)n2c(n1)c(cn2)C(=O)N(C1CCCc2c1cccc2)C
• InChI: InChI=1S/C20H22N4O/c1-13-11-14(2)24-19(22-13)17(12-21-24)20(25)23(3)18-10-6-8-15-7-4-5-9-16(15)18/h4-5,7,9,11-12,18H,6,8,10H2,1-3H3
• InChIKey: CCKYCDIDPGJTCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,5,7-trimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• IUPAC Traditional name: N,5,7-trimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• Synonyms: N,5,7-trimethyl-N-(1,2,3,4-tetrahydro-1-naphthalenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.995158
• LogD (pH = 7.4): 2.9951625
• Log P: 2.9951625
• Molar Refractivity: 109.181 cm^3
• Polarizability: 36.746426 Å^3
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.48
• LOG S: -2.9
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 2