N-[(2,4-dimethoxyphenyl)methyl]-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1H-pyrazole-3-carboxamide

• ChemBase ID: 543907
• Molecular Formular: C19H23N5O3
• Molecular Mass: 369.41762
• Monoisotopic Mass: 369.18008962
• SMILES: n1(nc(cc1C)C)Cc1cc(n[nH]1)C(=O)NCc1c(cc(cc1)OC)OC
• Canonical SMILES: COc1cc(OC)ccc1CNC(=O)c1n[nH]c(c1)Cn1nc(cc1C)C
• InChI: InChI=1S/C19H23N5O3/c1-12-7-13(2)24(23-12)11-15-8-17(22-21-15)19(25)20-10-14-5-6-16(26-3)9-18(14)27-4/h5-9H,10-11H2,1-4H3,(H,20,25)(H,21,22)
• InChIKey: UUMPMPWIQQLHFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2,4-dimethoxyphenyl)methyl]-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1H-pyrazole-3-carboxamide
• IUPAC Traditional name: N-[(2,4-dimethoxyphenyl)methyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carboxamide
• Synonyms: N-(2,4-dimethoxybenzyl)-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1H-pyrazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.229142
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.5465153
• LogD (pH = 7.4): 1.4915148
• Log P: 1.5499929
• Molar Refractivity: 114.0222 cm^3
• Polarizability: 38.165325 Å^3
• Polar Surface Area: 94.06 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 2.23
• LOG S: -5.59
• Polar Surface Area: 94.06 Å^2
• Rotatable Bonds: 5