4-[(1-ethylimidazol-2-yl)sulfonylmethyl]-1-methyl-5-(trifluoromethyl)pyrazole

C11H13F3N4O2S — CID 167853350

IUPAC4-[(1-ethylimidazol-2-yl)sulfonylmethyl]-1-methyl-5-(trifluoromethyl)pyrazole
SMILESCCn1ccnc1S(=O)(=O)Cc1cnn(C)c1C(F)(F)F
InChIInChI=1S/C11H13F3N4O2S/c1-3-18-5-4-15-10(18)21(19,20)7-8-6-16-17(2)9(8)11(12,13)14/h4-6H,3,7H2,1-2H3
InChIKeyJZOGQCSRQJDVOP-UHFFFAOYSA-N
MW322.31 g/mol
LogP1.63
Rot. Bonds4

About 4-[(1-ethylimidazol-2-yl)sulfonylmethyl]-1-methyl-5-(trifluoromethyl)pyrazole

4-[(1-ethylimidazol-2-yl)sulfonylmethyl]-1-methyl-5-(trifluoromethyl)pyrazole (PubChem CID 167853350) has the molecular formula C11H13F3N4O2S and a molecular weight of 322.31 g/mol. Its IUPAC name is 4-[(1-ethylimidazol-2-yl)sulfonylmethyl]-1-methyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-[(1-ethylimidazol-2-yl)sulfonylmethyl]-1-methyl-5-(trifluoromethyl)pyrazole
PubChem CID167853350
Molecular FormulaC11H13F3N4O2S
Molecular Weight322.31 g/mol
Exact Mass322.07
IUPAC Name4-[(1-ethylimidazol-2-yl)sulfonylmethyl]-1-methyl-5-(trifluoromethyl)pyrazole
SMILESCCn1ccnc1S(=O)(=O)Cc1cnn(C)c1C(F)(F)F
InChIInChI=1S/C11H13F3N4O2S/c1-3-18-5-4-15-10(18)21(19,20)7-8-6-16-17(2)9(8)11(12,13)14/h4-6H,3,7H2,1-2H3
InChIKeyJZOGQCSRQJDVOP-UHFFFAOYSA-N
XLogP1.63
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-2-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methylsulfonyl]pyrimidine
CID 75471589
1-ethyl-4-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methylsulfonylmethyl]triazole
CID 166257966
1-ethylimidazole-2-sulfonic acid
CID 23092882
1-methyl-4-(2-methylpropyl)-5-(trifluoromethyl)pyrazole
CID 178150124
2-ethenylsulfonyl-1-ethylimidazole
CID 62136967
1-(5-amino-1-methylpyrazol-4-yl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744377
2,6-dimethyl-4-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methoxy]pyridine
CID 86798929
1-methyl-4-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-5-(trifluoromethyl)pyrazole
CID 129400184
[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]methanamine
CID 66440321
[1-(2-ethylsulfonylethyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol
CID 66437258
[4-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 71855110
1-ethyl-2-methylimidazole;sulfuric acid
CID 174953824

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylimidazol-2-yl)sulfonylmethyl]-1-methyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 4-[(1-ethylimidazol-2-yl)sulfonylmethyl]-1-methyl-5-(trifluoromethyl)pyrazole (CID 167853350) is 4-[(1-ethylimidazol-2-yl)sulfonylmethyl]-1-methyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-[(1-ethylimidazol-2-yl)sulfonylmethyl]-1-methyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-[(1-ethylimidazol-2-yl)sulfonylmethyl]-1-methyl-5-(trifluoromethyl)pyrazole is CCn1ccnc1S(=O)(=O)Cc1cnn(C)c1C(F)(F)F.
What is the InChIKey of 4-[(1-ethylimidazol-2-yl)sulfonylmethyl]-1-methyl-5-(trifluoromethyl)pyrazole?
The InChIKey is JZOGQCSRQJDVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O2S/c1-3-18-5-4-15-10(18)21(19,20)7-8-6-16-17(2)9(8)11(12,13)14/h4-6H,3,7H2,1-2H3.
What are the key properties of 4-[(1-ethylimidazol-2-yl)sulfonylmethyl]-1-methyl-5-(trifluoromethyl)pyrazole?
4-[(1-ethylimidazol-2-yl)sulfonylmethyl]-1-methyl-5-(trifluoromethyl)pyrazole has a molecular weight of 322.31 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylimidazol-2-yl)sulfonylmethyl]-1-methyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 167853350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).