3-chloro-N,6-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

• ChemBase ID: 512159
• Molecular Formular: C19H19ClN4O
• Molecular Mass: 354.83336
• Monoisotopic Mass: 354.12473893
• SMILES: c1(c(c2n(n1)cc(cn2)C)Cl)C(=O)N(C1c2c(CCC1)cccc2)C
• Canonical SMILES: Cc1cnc2n(c1)nc(c2Cl)C(=O)N(C1CCCc2c1cccc2)C
• InChI: InChI=1S/C19H19ClN4O/c1-12-10-21-18-16(20)17(22-24(18)11-12)19(25)23(2)15-9-5-7-13-6-3-4-8-14(13)15/h3-4,6,8,10-11,15H,5,7,9H2,1-2H3
• InChIKey: FRXVBBJNIXHSDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-N,6-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• IUPAC Traditional name: 3-chloro-N,6-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• Synonyms: 3-chloro-N,6-dimethyl-N-(1,2,3,4-tetrahydro-1-naphthalenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.167547
• LogD (pH = 7.4): 4.167547
• Log P: 4.167547
• Molar Refractivity: 108.9138 cm^3
• Polarizability: 36.928192 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: 2.54
• LOG S: -3.96
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 2