N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide

C28H25F3N4O3 — CID 3374831

IUPACN-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
SMILESCOCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C28H25F3N4O3/c1-38-16-15-34(27(37)21-11-8-12-22(17-21)28(29,30)31)19-26(36)32-25-18-24(20-9-4-2-5-10-20)33-35(25)23-13-6-3-7-14-23/h2-14,17-18H,15-16,19H2,1H3,(H,32,36)
InChIKeyYPKHURXGYZVERQ-UHFFFAOYSA-N
MW522.53 g/mol
LogP5.29
Rot. Bonds9

About N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide

N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide (PubChem CID 3374831) has the molecular formula C28H25F3N4O3 and a molecular weight of 522.53 g/mol. Its IUPAC name is N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
PubChem CID3374831
Molecular FormulaC28H25F3N4O3
Molecular Weight522.53 g/mol
Exact Mass522.19
IUPAC NameN-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
SMILESCOCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C28H25F3N4O3/c1-38-16-15-34(27(37)21-11-8-12-22(17-21)28(29,30)31)19-26(36)32-25-18-24(20-9-4-2-5-10-20)33-35(25)23-13-6-3-7-14-23/h2-14,17-18H,15-16,19H2,1H3,(H,32,36)
InChIKeyYPKHURXGYZVERQ-UHFFFAOYSA-N
XLogP5.29
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.53
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-2-[2-methoxyethyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
CID 3925787
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethyl-3-methoxybenzamide
CID 42731746
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-3-methoxy-N-pentylbenzamide
CID 3643539
4-chloro-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-3-nitrobenzamide
CID 42736814
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-3,5-dimethoxy-N-(3-methoxypropyl)benzamide
CID 5175166
N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 42735357
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-4-fluoro-N-propylbenzamide
CID 42732051
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-propylnaphthalene-1-carboxamide
CID 42732056
2-[(3,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 5141768
N-butyl-N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 4022721
N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 42826814
3-methoxy-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 42731959

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide (CID 3374831) is N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide is COCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide?
The InChIKey is YPKHURXGYZVERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3N4O3/c1-38-16-15-34(27(37)21-11-8-12-22(17-21)28(29,30)31)19-26(36)32-25-18-24(20-9-4-2-5-10-20)33-35(25)23-13-6-3-7-14-23/h2-14,17-18H,15-16,19H2,1H3,(H,32,36).
What are the key properties of N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide?
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide has a molecular weight of 522.53 g/mol, XLogP of 5.29, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 3374831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).