3-amino-1-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]sulfonylpyrazole-5-carboxamide

C13H13F3N4O3S — CID 166333920

IUPAC3-amino-1-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]sulfonylpyrazole-5-carboxamide
SMILESCc1c(C(F)(F)F)cccc1S(=O)(=O)NC(=O)c1cc(N)nn1C
InChIInChI=1S/C13H13F3N4O3S/c1-7-8(13(14,15)16)4-3-5-10(7)24(22,23)19-12(21)9-6-11(17)18-20(9)2/h3-6H,1-2H3,(H2,17,18)(H,19,21)
InChIKeyUUJZDMUTBZTVDJ-UHFFFAOYSA-N
MW362.33 g/mol
LogP1.45
Rot. Bonds3

About 3-amino-1-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]sulfonylpyrazole-5-carboxamide

3-amino-1-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]sulfonylpyrazole-5-carboxamide (PubChem CID 166333920) has the molecular formula C13H13F3N4O3S and a molecular weight of 362.33 g/mol. Its IUPAC name is 3-amino-1-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]sulfonylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-1-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]sulfonylpyrazole-5-carboxamide
PubChem CID166333920
Molecular FormulaC13H13F3N4O3S
Molecular Weight362.33 g/mol
Exact Mass362.07
IUPAC Name3-amino-1-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]sulfonylpyrazole-5-carboxamide
SMILESCc1c(C(F)(F)F)cccc1S(=O)(=O)NC(=O)c1cc(N)nn1C
InChIInChI=1S/C13H13F3N4O3S/c1-7-8(13(14,15)16)4-3-5-10(7)24(22,23)19-12(21)9-6-11(17)18-20(9)2/h3-6H,1-2H3,(H2,17,18)(H,19,21)
InChIKeyUUJZDMUTBZTVDJ-UHFFFAOYSA-N
XLogP1.45
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-tert-butyl-N-(1-methylindol-7-yl)sulfonyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 121252546
N-(3-bromobutyl)-2-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 114297627
1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(trifluoromethyl)phenyl]sulfonylurea
CID 1278810
[4-(trifluoromethyl)phenyl] 3-amino-1-methylpyrazole-5-carboxylate
CID 117218388
1-ethyl-2,3-dimethyl-N-[2-(trifluoromethyl)phenyl]sulfonylindole-5-carboxamide
CID 110165992
N-[2,5-bis(trifluoromethyl)phenyl]sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 155116359
N-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86897229
N-(2-methoxypropyl)-2-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 102697610
N-(1-ethyltriazol-4-yl)sulfonyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 167747497
N-[[2-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]acetamide
CID 86799382
4-bromo-1-methyl-N'-[2-(trifluoromethyl)phenyl]sulfonylpyrrole-2-carbohydrazide
CID 17487267
N,2-dimethyl-3-(trifluoromethyl)benzamide
CID 67627642

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]sulfonylpyrazole-5-carboxamide?
The IUPAC name of 3-amino-1-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]sulfonylpyrazole-5-carboxamide (CID 166333920) is 3-amino-1-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]sulfonylpyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-1-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]sulfonylpyrazole-5-carboxamide?
The canonical SMILES for 3-amino-1-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]sulfonylpyrazole-5-carboxamide is Cc1c(C(F)(F)F)cccc1S(=O)(=O)NC(=O)c1cc(N)nn1C.
What is the InChIKey of 3-amino-1-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]sulfonylpyrazole-5-carboxamide?
The InChIKey is UUJZDMUTBZTVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O3S/c1-7-8(13(14,15)16)4-3-5-10(7)24(22,23)19-12(21)9-6-11(17)18-20(9)2/h3-6H,1-2H3,(H2,17,18)(H,19,21).
What are the key properties of 3-amino-1-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]sulfonylpyrazole-5-carboxamide?
3-amino-1-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]sulfonylpyrazole-5-carboxamide has a molecular weight of 362.33 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]sulfonylpyrazole-5-carboxamide is sourced from PubChem (CID 166333920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).