N,2,7-trimethyl-N-[(2E)-3-phenylprop-2-en-1-yl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

• ChemBase ID: 854511
• Molecular Formular: C19H20N4O
• Molecular Mass: 320.3883
• Monoisotopic Mass: 320.16371128
• SMILES: c12n(nc(c2)C)c(cc(n1)C(=O)N(C/C=C/c1ccccc1)C)C
• Canonical SMILES: Cc1nn2c(c1)nc(cc2C)C(=O)N(C/C=C/c1ccccc1)C
• InChI: InChI=1S/C19H20N4O/c1-14-12-18-20-17(13-15(2)23(18)21-14)19(24)22(3)11-7-10-16-8-5-4-6-9-16/h4-10,12-13H,11H2,1-3H3/b10-7+
• InChIKey: XCCMCPZJLRLBCZ-JXMROGBWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2,7-trimethyl-N-[(2E)-3-phenylprop-2-en-1-yl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
• IUPAC Traditional name: N,2,7-trimethyl-N-[(2E)-3-phenylprop-2-en-1-yl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
• Synonyms: N,2,7-trimethyl-N-[(2E)-3-phenylprop-2-en-1-yl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.001947
• LogD (pH = 7.4): 3.0021334
• Log P: 3.0021358
• Molar Refractivity: 106.9458 cm^3
• Polarizability: 35.544388 Å^3
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.24
• LOG S: -3.45
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 4