3-ethylsulfonyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide

C14H12F6N4O3S — CID 118299060

IUPAC3-ethylsulfonyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCS(=O)(=O)c1cc(C(F)(F)F)cnc1C(=O)Nc1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C14H12F6N4O3S/c1-3-28(26,27)8-4-7(13(15,16)17)6-21-11(8)12(25)22-10-5-9(14(18,19)20)24(2)23-10/h4-6H,3H2,1-2H3,(H,22,23,25)
InChIKeySLRZJIHZYQOQBP-UHFFFAOYSA-N
MW430.33 g/mol
LogP2.90
Rot. Bonds4

About 3-ethylsulfonyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide

3-ethylsulfonyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118299060) has the molecular formula C14H12F6N4O3S and a molecular weight of 430.33 g/mol. Its IUPAC name is 3-ethylsulfonyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-ethylsulfonyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118299060
Molecular FormulaC14H12F6N4O3S
Molecular Weight430.33 g/mol
Exact Mass430.05
IUPAC Name3-ethylsulfonyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCS(=O)(=O)c1cc(C(F)(F)F)cnc1C(=O)Nc1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C14H12F6N4O3S/c1-3-28(26,27)8-4-7(13(15,16)17)6-21-11(8)12(25)22-10-5-9(14(18,19)20)24(2)23-10/h4-6H,3H2,1-2H3,(H,22,23,25)
InChIKeySLRZJIHZYQOQBP-UHFFFAOYSA-N
XLogP2.90
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethylsulfonyl-N-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 118299006
3-ethylsulfonyl-5-(trifluoromethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
CID 118294577
3-ethylsulfonyl-N-[3-methyl-4-(trifluoromethyl)-1,3-thiazol-2-ylidene]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 118533945
3-ethylsulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyridine-2-carboxamide
CID 171058671
5-(1,1-difluoroethyl)-3-ethylsulfonylpyridine-2-carboxylic acid
CID 162442570
N-[4-chloro-2-methyl-6-(1-methylsulfanylpropan-2-ylcarbamoyl)phenyl]-3-ethylsulfonyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 174991573
1-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-2-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]ethanone
CID 159170726
5-(2-cyanopropan-2-yl)-3-ethylsulfonyl-N-[3-(methylamino)-6-(trifluoromethyl)pyridazin-4-yl]pyridine-2-carboxamide
CID 142414434
5-(5-chlorothiophen-2-yl)-3-ethylsulfonyl-N-[5-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]pyridine-2-carboxamide
CID 171472664
3-ethylsulfonyl-2-[1-methyl-5-(1,1,2,2,2-pentafluoroethyl)imidazol-2-yl]-5-(trifluoromethyl)pyridine
CID 168753793
1-(1,1-dimethoxypropan-2-yl)-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]urea
CID 118200098
N,1-dimethyl-5-(trifluoromethyl)pyrazol-3-amine
CID 131121157

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-ethylsulfonyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 118299060) is 3-ethylsulfonyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-ethylsulfonyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-ethylsulfonyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide is CCS(=O)(=O)c1cc(C(F)(F)F)cnc1C(=O)Nc1cc(C(F)(F)F)n(C)n1.
What is the InChIKey of 3-ethylsulfonyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is SLRZJIHZYQOQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F6N4O3S/c1-3-28(26,27)8-4-7(13(15,16)17)6-21-11(8)12(25)22-10-5-9(14(18,19)20)24(2)23-10/h4-6H,3H2,1-2H3,(H,22,23,25).
What are the key properties of 3-ethylsulfonyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
3-ethylsulfonyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 430.33 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118299060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).