1-(2-chlorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrazole-3-carboxamide

C16H10ClF3N4O2 — CID 49327084

IUPAC1-(2-chlorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrazole-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1ccn(-c2ccccc2Cl)n1
InChIInChI=1S/C16H10ClF3N4O2/c17-10-3-1-2-4-13(10)24-6-5-11(23-24)15(26)22-12-7-9(16(18,19)20)8-21-14(12)25/h1-8H,(H,21,25)(H,22,26)
InChIKeyXPOPEJVUWBKVLQ-UHFFFAOYSA-N
MW382.73 g/mol
LogP3.49
Rot. Bonds3

About 1-(2-chlorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrazole-3-carboxamide

1-(2-chlorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrazole-3-carboxamide (PubChem CID 49327084) has the molecular formula C16H10ClF3N4O2 and a molecular weight of 382.73 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrazole-3-carboxamide
PubChem CID49327084
Molecular FormulaC16H10ClF3N4O2
Molecular Weight382.73 g/mol
Exact Mass382.04
IUPAC Name1-(2-chlorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrazole-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1ccn(-c2ccccc2Cl)n1
InChIInChI=1S/C16H10ClF3N4O2/c17-10-3-1-2-4-13(10)24-6-5-11(23-24)15(26)22-12-7-9(16(18,19)20)8-21-14(12)25/h1-8H,(H,21,25)(H,22,26)
InChIKeyXPOPEJVUWBKVLQ-UHFFFAOYSA-N
XLogP3.49
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.73
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55737240
N-(3-chloro-2-methylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 55651530
1,3-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55737389
5-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1H-pyrazole-3-carboxamide
CID 78902755
4-(3,5-dimethylpyrazol-1-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]benzamide
CID 55794847
N-[2-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]carbamoyl]phenyl]thiophene-3-carboxamide
CID 56522082
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropanecarboxamide
CID 47137245
N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725448
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-4-(trifluoromethoxy)benzamide
CID 55488373
1-(2-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-3-carboxamide
CID 49488043
2-N,6-N-bis(2-chlorophenyl)-4-(trifluoromethyl)pyridine-2,6-dicarboxamide
CID 30772806
5,6-dichloro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 46616651

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrazole-3-carboxamide (CID 49327084) is 1-(2-chlorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrazole-3-carboxamide is O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1ccn(-c2ccccc2Cl)n1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrazole-3-carboxamide?
The InChIKey is XPOPEJVUWBKVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N4O2/c17-10-3-1-2-4-13(10)24-6-5-11(23-24)15(26)22-12-7-9(16(18,19)20)8-21-14(12)25/h1-8H,(H,21,25)(H,22,26).
What are the key properties of 1-(2-chlorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrazole-3-carboxamide?
1-(2-chlorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrazole-3-carboxamide has a molecular weight of 382.73 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 49327084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).