N-[2-(1-methyl-1H-pyrazol-5-yl)ethyl]-2-oxo-1,2-dihydroquinazoline-4-carboxamide

• ChemBase ID: 763337
• Molecular Formular: C15H15N5O2
• Molecular Mass: 297.3119
• Monoisotopic Mass: 297.12257475
• SMILES: c1(nc(=O)[nH]c2c1cccc2)C(=O)NCCc1n(ncc1)C
• Canonical SMILES: O=C(c1nc(=O)[nH]c2c1cccc2)NCCc1ccnn1C
• InChI: InChI=1S/C15H15N5O2/c1-20-10(7-9-17-20)6-8-16-14(21)13-11-4-2-3-5-12(11)18-15(22)19-13/h2-5,7,9H,6,8H2,1H3,(H,16,21)(H,18,19,22)
• InChIKey: YDJWSATYVJZHKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1-methyl-1H-pyrazol-5-yl)ethyl]-2-oxo-1,2-dihydroquinazoline-4-carboxamide
• IUPAC Traditional name: N-[2-(2-methylpyrazol-3-yl)ethyl]-2-oxo-1H-quinazoline-4-carboxamide
• Synonyms: N-[2-(1-methyl-1H-pyrazol-5-yl)ethyl]-2-oxo-1,2-dihydroquinazoline-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.066579
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.52300495
• LogD (pH = 7.4): 0.52224493
• Log P: 0.52313465
• Molar Refractivity: 93.7303 cm^3
• Polarizability: 30.117214 Å^3
• Polar Surface Area: 88.38 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: 0.29
• LOG S: -2.93
• Polar Surface Area: 92.67 Å^2
• Rotatable Bonds: 4