1,2-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazole-4-sulfonamide

C10H12F3N5O2S — CID 146132317

IUPAC1,2-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)cn1C
InChIInChI=1S/C10H12F3N5O2S/c1-7-15-9(5-17(7)2)21(19,20)16-8-3-14-18(4-8)6-10(11,12)13/h3-5,16H,6H2,1-2H3
InChIKeyMMAPWAYZLPLYPE-UHFFFAOYSA-N
MW323.30 g/mol
LogP1.29
Rot. Bonds4

About 1,2-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazole-4-sulfonamide

1,2-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazole-4-sulfonamide (PubChem CID 146132317) has the molecular formula C10H12F3N5O2S and a molecular weight of 323.30 g/mol. Its IUPAC name is 1,2-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1,2-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazole-4-sulfonamide
PubChem CID146132317
Molecular FormulaC10H12F3N5O2S
Molecular Weight323.30 g/mol
Exact Mass323.07
IUPAC Name1,2-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)cn1C
InChIInChI=1S/C10H12F3N5O2S/c1-7-15-9(5-17(7)2)21(19,20)16-8-3-14-18(4-8)6-10(11,12)13/h3-5,16H,6H2,1-2H3
InChIKeyMMAPWAYZLPLYPE-UHFFFAOYSA-N
XLogP1.29
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazole-4-sulfonamide?
The IUPAC name of 1,2-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazole-4-sulfonamide (CID 146132317) is 1,2-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazole-4-sulfonamide.
What is the SMILES notation for 1,2-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazole-4-sulfonamide?
The canonical SMILES for 1,2-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazole-4-sulfonamide is Cc1nc(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)cn1C.
What is the InChIKey of 1,2-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazole-4-sulfonamide?
The InChIKey is MMAPWAYZLPLYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5O2S/c1-7-15-9(5-17(7)2)21(19,20)16-8-3-14-18(4-8)6-10(11,12)13/h3-5,16H,6H2,1-2H3.
What are the key properties of 1,2-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazole-4-sulfonamide?
1,2-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazole-4-sulfonamide has a molecular weight of 323.30 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazole-4-sulfonamide is sourced from PubChem (CID 146132317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).