N-[4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylacetamide

C24H19F3N4O3S — CID 78324978

IUPACN-[4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cc(-c3ccncc3)ccc2C)cc1
InChIInChI=1S/C24H19F3N4O3S/c1-15-3-4-18(17-9-11-28-12-10-17)13-21(15)22-14-23(24(25,26)27)29-31(22)19-5-7-20(8-6-19)35(33,34)30-16(2)32/h3-14H,1-2H3,(H,30,32)
InChIKeyTUPUWZMIURFZDX-UHFFFAOYSA-N
MW500.50 g/mol
LogP4.75
Rot. Bonds5

About N-[4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylacetamide

N-[4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylacetamide (PubChem CID 78324978) has the molecular formula C24H19F3N4O3S and a molecular weight of 500.50 g/mol. Its IUPAC name is N-[4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylacetamide
PubChem CID78324978
Molecular FormulaC24H19F3N4O3S
Molecular Weight500.50 g/mol
Exact Mass500.11
IUPAC NameN-[4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cc(-c3ccncc3)ccc2C)cc1
InChIInChI=1S/C24H19F3N4O3S/c1-15-3-4-18(17-9-11-28-12-10-17)13-21(15)22-14-23(24(25,26)27)29-31(22)19-5-7-20(8-6-19)35(33,34)30-16(2)32/h3-14H,1-2H3,(H,30,32)
InChIKeyTUPUWZMIURFZDX-UHFFFAOYSA-N
XLogP4.75
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.50
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylacetamide?
The IUPAC name of N-[4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylacetamide (CID 78324978) is N-[4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylacetamide.
What is the SMILES notation for N-[4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylacetamide?
The canonical SMILES for N-[4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylacetamide is CC(=O)NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cc(-c3ccncc3)ccc2C)cc1.
What is the InChIKey of N-[4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylacetamide?
The InChIKey is TUPUWZMIURFZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O3S/c1-15-3-4-18(17-9-11-28-12-10-17)13-21(15)22-14-23(24(25,26)27)29-31(22)19-5-7-20(8-6-19)35(33,34)30-16(2)32/h3-14H,1-2H3,(H,30,32).
What are the key properties of N-[4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylacetamide?
N-[4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylacetamide has a molecular weight of 500.50 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylacetamide is sourced from PubChem (CID 78324978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).