N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C19H17F3N4O2S — CID 55790185

IUPACN-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C19H17F3N4O2S/c1-2-26(18(28)15-10-14(24-25-15)16-8-5-9-29-16)11-17(27)23-13-7-4-3-6-12(13)19(20,21)22/h3-10H,2,11H2,1H3,(H,23,27)(H,24,25)
InChIKeyAEJKRVIMUBIPMM-UHFFFAOYSA-N
MW422.43 g/mol
LogP4.26
Rot. Bonds6

About N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 55790185) has the molecular formula C19H17F3N4O2S and a molecular weight of 422.43 g/mol. Its IUPAC name is N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID55790185
Molecular FormulaC19H17F3N4O2S
Molecular Weight422.43 g/mol
Exact Mass422.10
IUPAC NameN-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C19H17F3N4O2S/c1-2-26(18(28)15-10-14(24-25-15)16-8-5-9-29-16)11-17(27)23-13-7-4-3-6-12(13)19(20,21)22/h3-10H,2,11H2,1H3,(H,23,27)(H,24,25)
InChIKeyAEJKRVIMUBIPMM-UHFFFAOYSA-N
XLogP4.26
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.43
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazole-4-carboxamide
CID 119682088
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55787026
2-(3-chlorophenyl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazole-4-carboxamide
CID 134059905
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-(trifluoromethyl)benzamide
CID 26356947
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]thiophene-3-carboxamide
CID 18114443
N-ethyl-5-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-phenylpyrazole-3-carboxamide
CID 55754631
N,4-diethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 9095226
N-ethyl-2,5-difluoro-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 43018397
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
methyl 4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]carbamoyl]benzoate
CID 26356542
6-chloro-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide
CID 26357037
N-ethyl-2-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1H-pyridine-3-carboxamide
CID 18114448

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 55790185) is N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(-c2cccs2)[nH]n1.
What is the InChIKey of N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is AEJKRVIMUBIPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2S/c1-2-26(18(28)15-10-14(24-25-15)16-8-5-9-29-16)11-17(27)23-13-7-4-3-6-12(13)19(20,21)22/h3-10H,2,11H2,1H3,(H,23,27)(H,24,25).
What are the key properties of N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 422.43 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55790185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).