1-(2-methoxyphenyl)-N-[2-(4,5,6,7-tetrahydro-2H-indazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide

• ChemBase ID: 603791
• Molecular Formular: C20H23N5O2
• Molecular Mass: 365.42892
• Monoisotopic Mass: 365.185175
• SMILES: n1(ncc(c1)C(=O)NCCc1c2c(n[nH]1)CCCC2)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1n1ncc(c1)C(=O)NCCc1[nH]nc2c1CCCC2
• InChI: InChI=1S/C20H23N5O2/c1-27-19-9-5-4-8-18(19)25-13-14(12-22-25)20(26)21-11-10-17-15-6-2-3-7-16(15)23-24-17/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3,(H,21,26)(H,23,24)
• InChIKey: ZWWNRSIMBDVZCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyphenyl)-N-[2-(4,5,6,7-tetrahydro-2H-indazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
• IUPAC Traditional name: 1-(2-methoxyphenyl)-N-[2-(4,5,6,7-tetrahydro-2H-indazol-3-yl)ethyl]pyrazole-4-carboxamide
• Synonyms: 1-(2-methoxyphenyl)-N-[2-(4,5,6,7-tetrahydro-2H-indazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.305431
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.3096116
• LogD (pH = 7.4): 2.3104858
• Log P: 2.3104975
• Molar Refractivity: 104.9593 cm^3
• Polarizability: 39.32999 Å^3
• Polar Surface Area: 84.83 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.51
• LOG S: -4.01
• Polar Surface Area: 84.83 Å^2
• Rotatable Bonds: 6