3-methyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide

C12H12F3N3O3S — CID 23050786

IUPAC3-methyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide
SMILESCC1CC=NN1C(=O)NS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H12F3N3O3S/c1-8-6-7-16-18(8)11(19)17-22(20,21)10-5-3-2-4-9(10)12(13,14)15/h2-5,7-8H,6H2,1H3,(H,17,19)
InChIKeyNAJGBXIHCAIWQI-UHFFFAOYSA-N
MW335.31 g/mol
LogP2.18
Rot. Bonds2

About 3-methyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide

3-methyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 23050786) has the molecular formula C12H12F3N3O3S and a molecular weight of 335.31 g/mol. Its IUPAC name is 3-methyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID23050786
Molecular FormulaC12H12F3N3O3S
Molecular Weight335.31 g/mol
Exact Mass335.06
IUPAC Name3-methyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide
SMILESCC1CC=NN1C(=O)NS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H12F3N3O3S/c1-8-6-7-16-18(8)11(19)17-22(20,21)10-5-3-2-4-9(10)12(13,14)15/h2-5,7-8H,6H2,1H3,(H,17,19)
InChIKeyNAJGBXIHCAIWQI-UHFFFAOYSA-N
XLogP2.18
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Glipalamide
CID 65802
N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide
CID 21798368
N-(2,6-difluorophenyl)sulfonyl-3-methyl-3,4-dihydropyrazole-2-carboxamide
CID 23050737
N-(2-fluorophenyl)sulfonyl-3-propyl-3,4-dihydropyrazole-2-carboxamide
CID 23050744
1-(2,6-Difluorophenylsulphonylcarbamoyl)-2-pyrazoline
CID 23050749
4-ethyl-N-(2-fluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide
CID 23050761
4-ethyl-3-methyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide
CID 23050769
N-(2-fluorophenyl)sulfonyl-5,5-dimethyl-4H-pyrazole-1-carboxamide
CID 23050770
3-propyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide
CID 23050780
N-[2-(trifluoromethyl)phenyl]sulfonyl-3,3a,4,5,6,7-hexahydroindazole-2-carboxamide
CID 23050793
5-methyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide
CID 23050802
N-(2,6-difluorophenyl)sulfonyl-5,5-dimethyl-4H-pyrazole-1-carboxamide
CID 23050806

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 3-methyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide (CID 23050786) is 3-methyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide is CC1CC=NN1C(=O)NS(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of 3-methyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is NAJGBXIHCAIWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O3S/c1-8-6-7-16-18(8)11(19)17-22(20,21)10-5-3-2-4-9(10)12(13,14)15/h2-5,7-8H,6H2,1H3,(H,17,19).
What are the key properties of 3-methyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide?
3-methyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 335.31 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 23050786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).