N-(4-indol-1-ylsulfonylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C20H15F3N4O3S — CID 16738575

IUPACN-(4-indol-1-ylsulfonylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(S(=O)(=O)n2ccc3ccccc32)cc1
InChIInChI=1S/C20H15F3N4O3S/c1-26-17(12-18(25-26)20(21,22)23)19(28)24-14-6-8-15(9-7-14)31(29,30)27-11-10-13-4-2-3-5-16(13)27/h2-12H,1H3,(H,24,28)
InChIKeyRSLNXBMXQOPLKD-UHFFFAOYSA-N
MW448.43 g/mol
LogP3.88
Rot. Bonds4

About N-(4-indol-1-ylsulfonylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-(4-indol-1-ylsulfonylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 16738575) has the molecular formula C20H15F3N4O3S and a molecular weight of 448.43 g/mol. Its IUPAC name is N-(4-indol-1-ylsulfonylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-indol-1-ylsulfonylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID16738575
Molecular FormulaC20H15F3N4O3S
Molecular Weight448.43 g/mol
Exact Mass448.08
IUPAC NameN-(4-indol-1-ylsulfonylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(S(=O)(=O)n2ccc3ccccc32)cc1
InChIInChI=1S/C20H15F3N4O3S/c1-26-17(12-18(25-26)20(21,22)23)19(28)24-14-6-8-15(9-7-14)31(29,30)27-11-10-13-4-2-3-5-16(13)27/h2-12H,1H3,(H,24,28)
InChIKeyRSLNXBMXQOPLKD-UHFFFAOYSA-N
XLogP3.88
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 52935189
1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278436
N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 130431497
N-[[4-[[(3-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 130431517
N-(1-(4-fluorobenzyl)-6-(7-hydroxy-1-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indazol-4-yl)ethanesulfonamide
CID 148928582
1-methyl-4-methylsulfonyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide
CID 165415024
1-methyl-4-methylsulfonyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide
CID 165415027
4-(2,3-Dihydro-1H-indole-1-sulfonyl)-N-(4-fluoro-2-methylphenyl)-1-methyl-1H-pyrrole-2-carboxamide
CID 22519229
N-(2-(1H-indol-3-yl)ethyl)-1-(3-((2-(methylamino)ethylamino)methyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 25213005
N-[1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 51347211
N-[1-(3-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 52934738
N-[1-(3-fluoro-4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 52934973

Frequently Asked Questions

What is the IUPAC name of N-(4-indol-1-ylsulfonylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-(4-indol-1-ylsulfonylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 16738575) is N-(4-indol-1-ylsulfonylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-indol-1-ylsulfonylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-(4-indol-1-ylsulfonylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(S(=O)(=O)n2ccc3ccccc32)cc1.
What is the InChIKey of N-(4-indol-1-ylsulfonylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is RSLNXBMXQOPLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O3S/c1-26-17(12-18(25-26)20(21,22)23)19(28)24-14-6-8-15(9-7-14)31(29,30)27-11-10-13-4-2-3-5-16(13)27/h2-12H,1H3,(H,24,28).
What are the key properties of N-(4-indol-1-ylsulfonylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-(4-indol-1-ylsulfonylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 448.43 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-indol-1-ylsulfonylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 16738575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).