1-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazole-4-sulfonamide

C9H10F3N5O2S — CID 146089527

IUPAC1-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2cn(C)nc2C(F)(F)F)c1
InChIInChI=1S/C9H10F3N5O2S/c1-16-4-7(13-5-16)20(18,19)15-6-3-17(2)14-8(6)9(10,11)12/h3-5,15H,1-2H3
InChIKeyQCHOBOSTJDKUME-UHFFFAOYSA-N
MW309.27 g/mol
LogP0.97
Rot. Bonds3

About 1-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazole-4-sulfonamide

1-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazole-4-sulfonamide (PubChem CID 146089527) has the molecular formula C9H10F3N5O2S and a molecular weight of 309.27 g/mol. Its IUPAC name is 1-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazole-4-sulfonamide
PubChem CID146089527
Molecular FormulaC9H10F3N5O2S
Molecular Weight309.27 g/mol
Exact Mass309.05
IUPAC Name1-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2cn(C)nc2C(F)(F)F)c1
InChIInChI=1S/C9H10F3N5O2S/c1-16-4-7(13-5-16)20(18,19)15-6-3-17(2)14-8(6)9(10,11)12/h3-5,15H,1-2H3
InChIKeyQCHOBOSTJDKUME-UHFFFAOYSA-N
XLogP0.97
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.27
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazole-4-sulfonamide (CID 146089527) is 1-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2cn(C)nc2C(F)(F)F)c1.
What is the InChIKey of 1-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazole-4-sulfonamide?
The InChIKey is QCHOBOSTJDKUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5O2S/c1-16-4-7(13-5-16)20(18,19)15-6-3-17(2)14-8(6)9(10,11)12/h3-5,15H,1-2H3.
What are the key properties of 1-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazole-4-sulfonamide?
1-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazole-4-sulfonamide has a molecular weight of 309.27 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazole-4-sulfonamide is sourced from PubChem (CID 146089527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).