N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,2,2-trifluoroethanesulfonamide

C8H9F6N3O2S — CID 167806079

IUPACN-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,2,2-trifluoroethanesulfonamide
SMILESCc1c(C(F)(F)F)nn(C)c1NS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C8H9F6N3O2S/c1-4-5(8(12,13)14)15-17(2)6(4)16-20(18,19)3-7(9,10)11/h16H,3H2,1-2H3
InChIKeyIVTMBZQSVYVFQN-UHFFFAOYSA-N
MW325.23 g/mol
LogP2.05
Rot. Bonds3

About N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,2,2-trifluoroethanesulfonamide

N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,2,2-trifluoroethanesulfonamide (PubChem CID 167806079) has the molecular formula C8H9F6N3O2S and a molecular weight of 325.23 g/mol. Its IUPAC name is N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,2,2-trifluoroethanesulfonamide.

Molecular Properties

Compound NameN-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,2,2-trifluoroethanesulfonamide
PubChem CID167806079
Molecular FormulaC8H9F6N3O2S
Molecular Weight325.23 g/mol
Exact Mass325.03
IUPAC NameN-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,2,2-trifluoroethanesulfonamide
SMILESCc1c(C(F)(F)F)nn(C)c1NS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C8H9F6N3O2S/c1-4-5(8(12,13)14)15-17(2)6(4)16-20(18,19)3-7(9,10)11/h16H,3H2,1-2H3
InChIKeyIVTMBZQSVYVFQN-UHFFFAOYSA-N
XLogP2.05
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1,4-dimethyl-3-(trifluoromethyl)pyrazole;ethane
CID 143994582
1,5-dimethyl-4-methylsulfonyl-3-(trifluoromethyl)pyrazole
CID 70851916
1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-sulfonic acid;hydrochloride
CID 174268218
1-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]urea
CID 138028291
(2S,3S)-N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-methyloxane-3-carboxamide
CID 128987788
3-[3-[[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]carbamoylamino]phenyl]propanoic acid
CID 122089961
4-(dimethylamino)-N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide
CID 99831552
1-(4-chloro-3-fluorophenyl)-N-(2,4,5-trimethylpyrazol-3-yl)methanesulfonamide
CID 154739287
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanesulfonamide
CID 166273875
[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]methanol
CID 59196731
[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol
CID 1476999
1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 19754695

Frequently Asked Questions

What is the IUPAC name of N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,2,2-trifluoroethanesulfonamide?
The IUPAC name of N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,2,2-trifluoroethanesulfonamide (CID 167806079) is N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,2,2-trifluoroethanesulfonamide.
What is the SMILES notation for N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,2,2-trifluoroethanesulfonamide?
The canonical SMILES for N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,2,2-trifluoroethanesulfonamide is Cc1c(C(F)(F)F)nn(C)c1NS(=O)(=O)CC(F)(F)F.
What is the InChIKey of N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,2,2-trifluoroethanesulfonamide?
The InChIKey is IVTMBZQSVYVFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F6N3O2S/c1-4-5(8(12,13)14)15-17(2)6(4)16-20(18,19)3-7(9,10)11/h16H,3H2,1-2H3.
What are the key properties of N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,2,2-trifluoroethanesulfonamide?
N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,2,2-trifluoroethanesulfonamide has a molecular weight of 325.23 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,2,2-trifluoroethanesulfonamide is sourced from PubChem (CID 167806079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).