5-methyl-N-(2-piperidin-1-ylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

C23H23F3N4O3S — CID 60549435

IUPAC5-methyl-N-(2-piperidin-1-ylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H23F3N4O3S/c1-16-19(15-27-30(16)18-9-7-8-17(14-18)23(24,25)26)22(31)28-20-10-3-4-11-21(20)34(32,33)29-12-5-2-6-13-29/h3-4,7-11,14-15H,2,5-6,12-13H2,1H3,(H,28,31)
InChIKeyJYIXPQQXNBFQCV-UHFFFAOYSA-N
MW492.52 g/mol
LogP4.63
Rot. Bonds5

About 5-methyl-N-(2-piperidin-1-ylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

5-methyl-N-(2-piperidin-1-ylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 60549435) has the molecular formula C23H23F3N4O3S and a molecular weight of 492.52 g/mol. Its IUPAC name is 5-methyl-N-(2-piperidin-1-ylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-piperidin-1-ylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID60549435
Molecular FormulaC23H23F3N4O3S
Molecular Weight492.52 g/mol
Exact Mass492.14
IUPAC Name5-methyl-N-(2-piperidin-1-ylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H23F3N4O3S/c1-16-19(15-27-30(16)18-9-7-8-17(14-18)23(24,25)26)22(31)28-20-10-3-4-11-21(20)34(32,33)29-12-5-2-6-13-29/h3-4,7-11,14-15H,2,5-6,12-13H2,1H3,(H,28,31)
InChIKeyJYIXPQQXNBFQCV-UHFFFAOYSA-N
XLogP4.63
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.52
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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5-methyl-N-[4-(propanoylamino)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-piperidin-1-ylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(2-piperidin-1-ylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 60549435) is 5-methyl-N-(2-piperidin-1-ylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-piperidin-1-ylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(2-piperidin-1-ylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)cnn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-methyl-N-(2-piperidin-1-ylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is JYIXPQQXNBFQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O3S/c1-16-19(15-27-30(16)18-9-7-8-17(14-18)23(24,25)26)22(31)28-20-10-3-4-11-21(20)34(32,33)29-12-5-2-6-13-29/h3-4,7-11,14-15H,2,5-6,12-13H2,1H3,(H,28,31).
What are the key properties of 5-methyl-N-(2-piperidin-1-ylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
5-methyl-N-(2-piperidin-1-ylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 492.52 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-piperidin-1-ylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 60549435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).