2-({[(4-acetylphenyl)carbamoyl]amino}methyl)-N,N-dimethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxamide

• ChemBase ID: 393861
• Molecular Formular: C19H24N6O3
• Molecular Mass: 384.43226
• Monoisotopic Mass: 384.19098866
• SMILES: c12n(nc(c1)CNC(=O)Nc1ccc(C(=O)C)cc1)CCN(C(=O)N(C)C)C2
• Canonical SMILES: O=C(Nc1ccc(cc1)C(=O)C)NCc1nn2c(c1)CN(CC2)C(=O)N(C)C
• InChI: InChI=1S/C19H24N6O3/c1-13(26)14-4-6-15(7-5-14)21-18(27)20-11-16-10-17-12-24(19(28)23(2)3)8-9-25(17)22-16/h4-7,10H,8-9,11-12H2,1-3H3,(H2,20,21,27)
• InChIKey: YAMSBVGBUILWHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({[(4-acetylphenyl)carbamoyl]amino}methyl)-N,N-dimethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• IUPAC Traditional name: 2-({[(4-acetylphenyl)carbamoyl]amino}methyl)-N,N-dimethyl-4H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• Synonyms: 2-[({[(4-acetylphenyl)amino]carbonyl}amino)methyl]-N,N-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.978855
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.07691441
• LogD (pH = 7.4): -0.076888256
• Log P: -0.07688682
• Molar Refractivity: 117.0835 cm^3
• Polarizability: 39.19119 Å^3
• Polar Surface Area: 99.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.27
• LOG S: -3.54
• Polar Surface Area: 99.57 Å^2
• Rotatable Bonds: 4