N,1-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]imidazole-4-sulfonamide

C11H14F3N5O2S — CID 166290983

IUPACN,1-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]imidazole-4-sulfonamide
SMILESCN(Cc1cc(C(F)(F)F)nn1C)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C11H14F3N5O2S/c1-17-6-10(15-7-17)22(20,21)18(2)5-8-4-9(11(12,13)14)16-19(8)3/h4,6-7H,5H2,1-3H3
InChIKeyWQUPRVTXPUCRSW-UHFFFAOYSA-N
MW337.33 g/mol
LogP0.99
Rot. Bonds4

About N,1-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]imidazole-4-sulfonamide

N,1-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]imidazole-4-sulfonamide (PubChem CID 166290983) has the molecular formula C11H14F3N5O2S and a molecular weight of 337.33 g/mol. Its IUPAC name is N,1-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]imidazole-4-sulfonamide
PubChem CID166290983
Molecular FormulaC11H14F3N5O2S
Molecular Weight337.33 g/mol
Exact Mass337.08
IUPAC NameN,1-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]imidazole-4-sulfonamide
SMILESCN(Cc1cc(C(F)(F)F)nn1C)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C11H14F3N5O2S/c1-17-6-10(15-7-17)22(20,21)18(2)5-8-4-9(11(12,13)14)16-19(8)3/h4,6-7H,5H2,1-3H3
InChIKeyWQUPRVTXPUCRSW-UHFFFAOYSA-N
XLogP0.99
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]imidazole-4-sulfonamide?
The IUPAC name of N,1-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]imidazole-4-sulfonamide (CID 166290983) is N,1-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]imidazole-4-sulfonamide.
What is the SMILES notation for N,1-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]imidazole-4-sulfonamide?
The canonical SMILES for N,1-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]imidazole-4-sulfonamide is CN(Cc1cc(C(F)(F)F)nn1C)S(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N,1-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]imidazole-4-sulfonamide?
The InChIKey is WQUPRVTXPUCRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5O2S/c1-17-6-10(15-7-17)22(20,21)18(2)5-8-4-9(11(12,13)14)16-19(8)3/h4,6-7H,5H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]imidazole-4-sulfonamide?
N,1-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]imidazole-4-sulfonamide has a molecular weight of 337.33 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 166290983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).