1-ethyl-3,5-dimethyl-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole-4-sulfonamide

C11H14F3N5O2S — CID 136543743

IUPAC1-ethyl-3,5-dimethyl-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)Nc2ncc(C(F)(F)F)[nH]2)c1C
InChIInChI=1S/C11H14F3N5O2S/c1-4-19-7(3)9(6(2)17-19)22(20,21)18-10-15-5-8(16-10)11(12,13)14/h5H,4H2,1-3H3,(H2,15,16,18)
InChIKeyIMIFLWZZVAZLID-UHFFFAOYSA-N
MW337.33 g/mol
LogP2.06
Rot. Bonds4

About 1-ethyl-3,5-dimethyl-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole-4-sulfonamide

1-ethyl-3,5-dimethyl-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole-4-sulfonamide (PubChem CID 136543743) has the molecular formula C11H14F3N5O2S and a molecular weight of 337.33 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethyl-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-3,5-dimethyl-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole-4-sulfonamide
PubChem CID136543743
Molecular FormulaC11H14F3N5O2S
Molecular Weight337.33 g/mol
Exact Mass337.08
IUPAC Name1-ethyl-3,5-dimethyl-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)Nc2ncc(C(F)(F)F)[nH]2)c1C
InChIInChI=1S/C11H14F3N5O2S/c1-4-19-7(3)9(6(2)17-19)22(20,21)18-10-15-5-8(16-10)11(12,13)14/h5H,4H2,1-3H3,(H2,15,16,18)
InChIKeyIMIFLWZZVAZLID-UHFFFAOYSA-N
XLogP2.06
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-{2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-1H-imidazole-4-sulfonamide
CID 71808088
1-Ethyl-4-{1H,4H,5H,6H,7H-imidazo[4,5-C]pyridine-5-sulfonyl}-1H-pyrazole
CID 53145357
N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 91923950
1-[1-(Difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-2-ethyl-4-methylimidazole
CID 46282679
1-(difluoromethyl)-3,5-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrazole-4-sulfonamide
CID 46968824
N,1,3,5-tetramethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrazole-4-sulfonamide
CID 56481698
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
CID 78849341
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole-4-sulfonyl chloride
CID 82913121
1-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazole-4-sulfonamide
CID 146089527
1-ethyl-2-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazole-4-sulfonamide
CID 146126700
N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1,2-dimethylimidazole-4-sulfonamide
CID 146131699
N,1-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]imidazole-4-sulfonamide
CID 166290983

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dimethyl-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-3,5-dimethyl-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole-4-sulfonamide (CID 136543743) is 1-ethyl-3,5-dimethyl-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-3,5-dimethyl-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-3,5-dimethyl-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole-4-sulfonamide is CCn1nc(C)c(S(=O)(=O)Nc2ncc(C(F)(F)F)[nH]2)c1C.
What is the InChIKey of 1-ethyl-3,5-dimethyl-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole-4-sulfonamide?
The InChIKey is IMIFLWZZVAZLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5O2S/c1-4-19-7(3)9(6(2)17-19)22(20,21)18-10-15-5-8(16-10)11(12,13)14/h5H,4H2,1-3H3,(H2,15,16,18).
What are the key properties of 1-ethyl-3,5-dimethyl-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole-4-sulfonamide?
1-ethyl-3,5-dimethyl-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole-4-sulfonamide has a molecular weight of 337.33 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethyl-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 136543743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).