N-(4-methylphenyl)sulfonyl-4-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]pyrazole-1-carboxamide

C23H17F3N4O3S — CID 3533824

IUPACN-(4-methylphenyl)sulfonyl-4-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]pyrazole-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)n2cc(-c3ccncc3)c(-c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C23H17F3N4O3S/c1-15-2-8-19(9-3-15)34(32,33)29-22(31)30-14-20(16-10-12-27-13-11-16)21(28-30)17-4-6-18(7-5-17)23(24,25)26/h2-14H,1H3,(H,29,31)
InChIKeyDHLYLBMUDGOULE-UHFFFAOYSA-N
MW486.48 g/mol
LogP4.89
Rot. Bonds4

About N-(4-methylphenyl)sulfonyl-4-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]pyrazole-1-carboxamide

N-(4-methylphenyl)sulfonyl-4-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]pyrazole-1-carboxamide (PubChem CID 3533824) has the molecular formula C23H17F3N4O3S and a molecular weight of 486.48 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfonyl-4-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfonyl-4-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]pyrazole-1-carboxamide
PubChem CID3533824
Molecular FormulaC23H17F3N4O3S
Molecular Weight486.48 g/mol
Exact Mass486.10
IUPAC NameN-(4-methylphenyl)sulfonyl-4-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]pyrazole-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)n2cc(-c3ccncc3)c(-c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C23H17F3N4O3S/c1-15-2-8-19(9-3-15)34(32,33)29-22(31)30-14-20(16-10-12-27-13-11-16)21(28-30)17-4-6-18(7-5-17)23(24,25)26/h2-14H,1H3,(H,29,31)
InChIKeyDHLYLBMUDGOULE-UHFFFAOYSA-N
XLogP4.89
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.48
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfonyl-4-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]pyrazole-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)sulfonyl-4-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]pyrazole-1-carboxamide (CID 3533824) is N-(4-methylphenyl)sulfonyl-4-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]pyrazole-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)sulfonyl-4-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]pyrazole-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)sulfonyl-4-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]pyrazole-1-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)n2cc(-c3ccncc3)c(-c3ccc(C(F)(F)F)cc3)n2)cc1.
What is the InChIKey of N-(4-methylphenyl)sulfonyl-4-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]pyrazole-1-carboxamide?
The InChIKey is DHLYLBMUDGOULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O3S/c1-15-2-8-19(9-3-15)34(32,33)29-22(31)30-14-20(16-10-12-27-13-11-16)21(28-30)17-4-6-18(7-5-17)23(24,25)26/h2-14H,1H3,(H,29,31).
What are the key properties of N-(4-methylphenyl)sulfonyl-4-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]pyrazole-1-carboxamide?
N-(4-methylphenyl)sulfonyl-4-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]pyrazole-1-carboxamide has a molecular weight of 486.48 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfonyl-4-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]pyrazole-1-carboxamide is sourced from PubChem (CID 3533824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).