N-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide

C26H23F2N3O4 — CID 16925804

IUPACN-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cn(Cc3ccc(F)cc3)nc2OCc2ccc(F)cc2)c1
InChIInChI=1S/C26H23F2N3O4/c1-33-21-11-12-24(34-2)23(13-21)29-25(32)22-15-31(14-17-3-7-19(27)8-4-17)30-26(22)35-16-18-5-9-20(28)10-6-18/h3-13,15H,14,16H2,1-2H3,(H,29,32)
InChIKeyPUTWCGUSRZSDHC-UHFFFAOYSA-N
MW479.48 g/mol
LogP5.06
Rot. Bonds9

About N-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide

N-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide (PubChem CID 16925804) has the molecular formula C26H23F2N3O4 and a molecular weight of 479.48 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide
PubChem CID16925804
Molecular FormulaC26H23F2N3O4
Molecular Weight479.48 g/mol
Exact Mass479.17
IUPAC NameN-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cn(Cc3ccc(F)cc3)nc2OCc2ccc(F)cc2)c1
InChIInChI=1S/C26H23F2N3O4/c1-33-21-11-12-24(34-2)23(13-21)29-25(32)22-15-31(14-17-3-7-19(27)8-4-17)30-26(22)35-16-18-5-9-20(28)10-6-18/h3-13,15H,14,16H2,1-2H3,(H,29,32)
InChIKeyPUTWCGUSRZSDHC-UHFFFAOYSA-N
XLogP5.06
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.48
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethylphenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 16925798
N-(3-fluorophenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 16925775
1-benzyl-N-(2-fluorophenyl)-3-phenylmethoxypyrazole-4-carboxamide
CID 16925655
1-benzyl-3-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)pyrazole-4-carboxamide
CID 43025551
N-(2,5-dimethoxyphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109158661
N-(2-fluorophenyl)-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 16925880
N-(2,5-dimethoxyphenyl)-6-[(4-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109369822
1-benzyl-N-(4-ethylphenyl)-3-phenylmethoxypyrazole-4-carboxamide
CID 16925653
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,4-dimethoxybenzamide
CID 19409797
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3,4-dimethoxybenzamide
CID 19409221
N-[4-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121079885
1-[(4-chlorophenyl)methyl]-N-(2,5-dimethoxyphenyl)-2-oxopyridine-3-carboxamide
CID 7598073

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide (CID 16925804) is N-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide is COc1ccc(OC)c(NC(=O)c2cn(Cc3ccc(F)cc3)nc2OCc2ccc(F)cc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is PUTWCGUSRZSDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N3O4/c1-33-21-11-12-24(34-2)23(13-21)29-25(32)22-15-31(14-17-3-7-19(27)8-4-17)30-26(22)35-16-18-5-9-20(28)10-6-18/h3-13,15H,14,16H2,1-2H3,(H,29,32).
What are the key properties of N-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide?
N-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 479.48 g/mol, XLogP of 5.06, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 16925804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).