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

C12H11F3N4O2 — CID 78902755

IUPAC5-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)n[nH]1
InChIInChI=1S/C12H11F3N4O2/c1-2-7-4-9(19-18-7)11(21)17-8-3-6(12(13,14)15)5-16-10(8)20/h3-5H,2H2,1H3,(H,16,20)(H,17,21)(H,18,19)
InChIKeyNNUUIEBFRLKOSN-UHFFFAOYSA-N
MW300.24 g/mol
LogP1.93
Rot. Bonds3

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

5-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 78902755) has the molecular formula C12H11F3N4O2 and a molecular weight of 300.24 g/mol. Its IUPAC name is 5-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID78902755
Molecular FormulaC12H11F3N4O2
Molecular Weight300.24 g/mol
Exact Mass300.08
IUPAC Name5-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)n[nH]1
InChIInChI=1S/C12H11F3N4O2/c1-2-7-4-9(19-18-7)11(21)17-8-3-6(12(13,14)15)5-16-10(8)20/h3-5H,2H2,1H3,(H,16,20)(H,17,21)(H,18,19)
InChIKeyNNUUIEBFRLKOSN-UHFFFAOYSA-N
XLogP1.93
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide
CID 119399141
1,1-bis(2-methoxyethyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 47492145
2-methyl-3-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide;hydrochloride
CID 119399140
2-[3,5-bis(trifluoromethyl)phenoxy]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 78889476
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropanecarboxamide
CID 47137245
1-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 167832915
3-methylsulfanyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyridine-4-carboxamide
CID 66897712
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-4-(trifluoromethoxy)benzamide
CID 55488373
1-(2-hydroxypentyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 111431494
2-chloro-4-fluoro-N-[3-oxo-3-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]propyl]benzamide
CID 55794760
1-(2-chlorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrazole-3-carboxamide
CID 49327084
4-(3,5-dimethylpyrazol-1-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]benzamide
CID 55794847

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1H-pyrazole-3-carboxamide (CID 78902755) is 5-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1H-pyrazole-3-carboxamide is CCc1cc(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)n[nH]1.
What is the InChIKey of 5-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is NNUUIEBFRLKOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O2/c1-2-7-4-9(19-18-7)11(21)17-8-3-6(12(13,14)15)5-16-10(8)20/h3-5H,2H2,1H3,(H,16,20)(H,17,21)(H,18,19).
What are the key properties of 5-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1H-pyrazole-3-carboxamide?
5-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 300.24 g/mol, XLogP of 1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 78902755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).