1,1,1-trifluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanesulfonamide

C15H12F3N3O2S2 — CID 67173568

IUPAC1,1,1-trifluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanesulfonamide
SMILESCc1ccccc1-n1nc(-c2cccs2)cc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C15H12F3N3O2S2/c1-10-5-2-3-6-12(10)21-14(20-25(22,23)15(16,17)18)9-11(19-21)13-7-4-8-24-13/h2-9,20H,1H3
InChIKeyMDDXDFHYGRRHLV-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.17
Rot. Bonds4

About 1,1,1-trifluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanesulfonamide

1,1,1-trifluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanesulfonamide (PubChem CID 67173568) has the molecular formula C15H12F3N3O2S2 and a molecular weight of 387.41 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanesulfonamide
PubChem CID67173568
Molecular FormulaC15H12F3N3O2S2
Molecular Weight387.41 g/mol
Exact Mass387.03
IUPAC Name1,1,1-trifluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanesulfonamide
SMILESCc1ccccc1-n1nc(-c2cccs2)cc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C15H12F3N3O2S2/c1-10-5-2-3-6-12(10)21-14(20-25(22,23)15(16,17)18)9-11(19-21)13-7-4-8-24-13/h2-9,20H,1H3
InChIKeyMDDXDFHYGRRHLV-UHFFFAOYSA-N
XLogP4.17
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Fluoro-N-[1-(4-fluorophenyl)-3-(2-thienyl)-1H-pyrazol-5-YL]benzenesulfonamide
CID 2742752
N-[1-(4-Fluorophenyl)-3-(2-thienyl)-1H-pyrazol-5-YL]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 2742759
1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine
CID 16228641
1-phenyl-3-(thiophen-3-yl)-1H-pyrazol-5-amine
CID 43158972
(E)-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]-3-thiophen-2-ylprop-2-enamide
CID 2334628
3-fluoro-N-[1-(4-iodophenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide
CID 2742764
5-Amino-1-phenyl-3-(thiophen-2-yl)pyrazole-4-carbonitrile
CID 21860261
1-(4-fluorophenyl)-3-(thiophen-2-yl)-1H-pyrazol-5-amine
CID 2742741
1-(4-fluorophenyl)-3,6-dimethyl-4-(2-thienyl)-4H-pyrazolo[5,4-d]1,3-thiazine
CID 16766905
4-[3-(Difluoromethyl)-5-thiophen-3-ylpyrazol-1-yl]benzenesulfonamide
CID 22148985
4-[3-(Difluoromethyl)-5-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide
CID 22315372
4-[5-(4-Methylthiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 22315396

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanesulfonamide (CID 67173568) is 1,1,1-trifluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanesulfonamide is Cc1ccccc1-n1nc(-c2cccs2)cc1NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanesulfonamide?
The InChIKey is MDDXDFHYGRRHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O2S2/c1-10-5-2-3-6-12(10)21-14(20-25(22,23)15(16,17)18)9-11(19-21)13-7-4-8-24-13/h2-9,20H,1H3.
What are the key properties of 1,1,1-trifluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanesulfonamide?
1,1,1-trifluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanesulfonamide has a molecular weight of 387.41 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanesulfonamide is sourced from PubChem (CID 67173568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).