5-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenyl-N-propylpyrazole-3-carboxamide

C22H21F3N4O2 — CID 55755016

IUPAC5-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenyl-N-propylpyrazole-3-carboxamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc(C)n(-c2ccccc2)n1
InChIInChI=1S/C22H21F3N4O2/c1-3-11-28(13-19(30)26-17-10-9-16(23)20(24)21(17)25)22(31)18-12-14(2)29(27-18)15-7-5-4-6-8-15/h4-10,12H,3,11,13H2,1-2H3,(H,26,30)
InChIKeyVKHDSZISNANSNL-UHFFFAOYSA-N
MW430.43 g/mol
LogP4.09
Rot. Bonds7

About 5-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenyl-N-propylpyrazole-3-carboxamide

5-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenyl-N-propylpyrazole-3-carboxamide (PubChem CID 55755016) has the molecular formula C22H21F3N4O2 and a molecular weight of 430.43 g/mol. Its IUPAC name is 5-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenyl-N-propylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenyl-N-propylpyrazole-3-carboxamide
PubChem CID55755016
Molecular FormulaC22H21F3N4O2
Molecular Weight430.43 g/mol
Exact Mass430.16
IUPAC Name5-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenyl-N-propylpyrazole-3-carboxamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc(C)n(-c2ccccc2)n1
InChIInChI=1S/C22H21F3N4O2/c1-3-11-28(13-19(30)26-17-10-9-16(23)20(24)21(17)25)22(31)18-12-14(2)29(27-18)15-7-5-4-6-8-15/h4-10,12H,3,11,13H2,1-2H3,(H,26,30)
InChIKeyVKHDSZISNANSNL-UHFFFAOYSA-N
XLogP4.09
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenyl-N-propylpyrazole-4-carboxamide
CID 27773162
N-ethyl-5-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-phenylpyrazole-3-carboxamide
CID 55754631
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]propanamide
CID 55482520
3,4-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 112790057
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyridine-4-carboxamide
CID 27773073
3-acetamido-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 27773105
4-iodo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 27773080
3-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-1-benzofuran-2-carboxamide
CID 26730475
2-ethylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 55382888
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 27773173
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-1,3-benzodioxole-5-carboxamide
CID 27773087
2-nitro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 51143517

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenyl-N-propylpyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenyl-N-propylpyrazole-3-carboxamide (CID 55755016) is 5-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenyl-N-propylpyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenyl-N-propylpyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenyl-N-propylpyrazole-3-carboxamide is CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc(C)n(-c2ccccc2)n1.
What is the InChIKey of 5-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenyl-N-propylpyrazole-3-carboxamide?
The InChIKey is VKHDSZISNANSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O2/c1-3-11-28(13-19(30)26-17-10-9-16(23)20(24)21(17)25)22(31)18-12-14(2)29(27-18)15-7-5-4-6-8-15/h4-10,12H,3,11,13H2,1-2H3,(H,26,30).
What are the key properties of 5-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenyl-N-propylpyrazole-3-carboxamide?
5-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenyl-N-propylpyrazole-3-carboxamide has a molecular weight of 430.43 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenyl-N-propylpyrazole-3-carboxamide is sourced from PubChem (CID 55755016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).