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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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).