N-[1-benzyl-4-(propan-2-yloxy)-1H-indazol-3-yl]-1,3-dimethyl-1H-pyrazole-5-carboxamide

• ChemBase ID: 578403
• Molecular Formular: C23H25N5O2
• Molecular Mass: 403.4769
• Monoisotopic Mass: 403.20082507
• SMILES: c1(n(nc(c1)C)C)C(=O)Nc1nn(c2c1c(OC(C)C)ccc2)Cc1ccccc1
• Canonical SMILES: CC(Oc1cccc2c1c(NC(=O)c1cc(nn1C)C)nn2Cc1ccccc1)C
• InChI: InChI=1S/C23H25N5O2/c1-15(2)30-20-12-8-11-18-21(20)22(24-23(29)19-13-16(3)25-27(19)4)26-28(18)14-17-9-6-5-7-10-17/h5-13,15H,14H2,1-4H3,(H,24,26,29)
• InChIKey: ZNEHSJPFYCKNLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-benzyl-4-(propan-2-yloxy)-1H-indazol-3-yl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
• IUPAC Traditional name: N-(1-benzyl-4-isopropoxyindazol-3-yl)-2,5-dimethylpyrazole-3-carboxamide
• Synonyms: N-(1-benzyl-4-isopropoxy-1H-indazol-3-yl)-1,3-dimethyl-1H-pyrazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.413187
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.9256685
• LogD (pH = 7.4): 3.9257374
• Log P: 3.9257424
• Molar Refractivity: 140.7517 cm^3
• Polarizability: 45.151638 Å^3
• Polar Surface Area: 73.97 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.71
• LOG S: -5.31
• Polar Surface Area: 73.97 Å^2
• Rotatable Bonds: 6