N-(1H-indol-3-yl)-1-phenyl-1H-pyrazole-4-carboxamide

• ChemBase ID: 508238
• Molecular Formular: C18H14N4O
• Molecular Mass: 302.32996
• Monoisotopic Mass: 302.11676109
• SMILES: c1(cn(nc1)c1ccccc1)C(=O)Nc1c2c([nH]c1)cccc2
• Canonical SMILES: O=C(c1cnn(c1)c1ccccc1)Nc1c[nH]c2c1cccc2
• InChI: InChI=1S/C18H14N4O/c23-18(21-17-11-19-16-9-5-4-8-15(16)17)13-10-20-22(12-13)14-6-2-1-3-7-14/h1-12,19H,(H,21,23)
• InChIKey: HGMKQFRTWTUKLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1H-indol-3-yl)-1-phenyl-1H-pyrazole-4-carboxamide
• IUPAC Traditional name: N-(1H-indol-3-yl)-1-phenylpyrazole-4-carboxamide
• Synonyms: N-1H-indol-3-yl-1-phenyl-1H-pyrazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.863842
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.249706
• LogD (pH = 7.4): 3.2497108
• Log P: 3.249711
• Molar Refractivity: 91.0397 cm^3
• Polarizability: 35.27181 Å^3
• Polar Surface Area: 62.71 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.26
• LOG S: -4.19
• Polar Surface Area: 62.71 Å^2
• Rotatable Bonds: 3