[5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-2,5-dihydropyridin-4-yl]pyrazol-3-yl]-(1,1-dioxo-1,3-thiazolidin-3-yl)methanone

C19H15ClF4N4O3S — CID 123375000

IUPAC[5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-2,5-dihydropyridin-4-yl]pyrazol-3-yl]-(1,1-dioxo-1,3-thiazolidin-3-yl)methanone
SMILESO=C(c1cc(-c2cc(F)cc(Cl)c2)n(C2=CC(C(F)(F)F)N=CC2)n1)N1CCS(=O)(=O)C1
InChIInChI=1S/C19H15ClF4N4O3S/c20-12-5-11(6-13(21)7-12)16-9-15(18(29)27-3-4-32(30,31)10-27)26-28(16)14-1-2-25-17(8-14)19(22,23)24/h2,5-9,17H,1,3-4,10H2
InChIKeyLYFNUOLIUBHOCT-UHFFFAOYSA-N
MW490.87 g/mol
LogP3.42
Rot. Bonds3

About [5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-2,5-dihydropyridin-4-yl]pyrazol-3-yl]-(1,1-dioxo-1,3-thiazolidin-3-yl)methanone

[5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-2,5-dihydropyridin-4-yl]pyrazol-3-yl]-(1,1-dioxo-1,3-thiazolidin-3-yl)methanone (PubChem CID 123375000) has the molecular formula C19H15ClF4N4O3S and a molecular weight of 490.87 g/mol. Its IUPAC name is [5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-2,5-dihydropyridin-4-yl]pyrazol-3-yl]-(1,1-dioxo-1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Name[5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-2,5-dihydropyridin-4-yl]pyrazol-3-yl]-(1,1-dioxo-1,3-thiazolidin-3-yl)methanone
PubChem CID123375000
Molecular FormulaC19H15ClF4N4O3S
Molecular Weight490.87 g/mol
Exact Mass490.05
IUPAC Name[5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-2,5-dihydropyridin-4-yl]pyrazol-3-yl]-(1,1-dioxo-1,3-thiazolidin-3-yl)methanone
SMILESO=C(c1cc(-c2cc(F)cc(Cl)c2)n(C2=CC(C(F)(F)F)N=CC2)n1)N1CCS(=O)(=O)C1
InChIInChI=1S/C19H15ClF4N4O3S/c20-12-5-11(6-13(21)7-12)16-9-15(18(29)27-3-4-32(30,31)10-27)26-28(16)14-1-2-25-17(8-14)19(22,23)24/h2,5-9,17H,1,3-4,10H2
InChIKeyLYFNUOLIUBHOCT-UHFFFAOYSA-N
XLogP3.42
TPSA84.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.87
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-3-yl]-(1,1-dihydroxy-1,3-thiazolidin-3-yl)methanone
CID 118006384
[5-(3-chloro-5-fluorophenyl)-1-(5-chloro-3-pyridinyl)pyrazol-3-yl]-piperazin-1-ylmethanone
CID 141365455
1-[5-(3-chloro-5-fluorophenyl)-1-(3-chlorophenyl)pyrazole-3-carbonyl]imidazolidine-4-carbaldehyde
CID 174610658
1-[5-(3-chloro-5-fluorophenyl)-1-pyridin-2-ylpyrazole-3-carbonyl]imidazolidin-4-one
CID 71576484
1-[1-(3-chloro-4-fluorophenyl)-5-(3-chloro-5-fluorophenyl)pyrazole-3-carbonyl]imidazolidine-4-carbaldehyde
CID 175269343
1-[1-(3-chlorophenyl)-5-(3,5-difluorophenyl)pyrazole-3-carbonyl]imidazolidine-4-carbaldehyde
CID 174717759
1-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]piperidin-4-one
CID 45276937
[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone
CID 45276620
[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 45277095
[5-(3-chloro-5-fluorophenyl)-1-(6-chloro-3-pyridinyl)pyrazol-3-yl]-imidazol-1-ylmethanone
CID 141365463
4-[5-[3-fluoro-5-(trifluoromethoxy)phenyl]-1-pyridin-3-ylpyrazole-3-carbonyl]piperazin-2-one
CID 86574656
1-(3-chloro-4-fluorophenyl)-5-[3-fluoro-5-(trifluoromethoxy)phenyl]pyrazole-3-carboxylic acid
CID 58277289

Frequently Asked Questions

What is the IUPAC name of [5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-2,5-dihydropyridin-4-yl]pyrazol-3-yl]-(1,1-dioxo-1,3-thiazolidin-3-yl)methanone?
The IUPAC name of [5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-2,5-dihydropyridin-4-yl]pyrazol-3-yl]-(1,1-dioxo-1,3-thiazolidin-3-yl)methanone (CID 123375000) is [5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-2,5-dihydropyridin-4-yl]pyrazol-3-yl]-(1,1-dioxo-1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for [5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-2,5-dihydropyridin-4-yl]pyrazol-3-yl]-(1,1-dioxo-1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for [5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-2,5-dihydropyridin-4-yl]pyrazol-3-yl]-(1,1-dioxo-1,3-thiazolidin-3-yl)methanone is O=C(c1cc(-c2cc(F)cc(Cl)c2)n(C2=CC(C(F)(F)F)N=CC2)n1)N1CCS(=O)(=O)C1.
What is the InChIKey of [5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-2,5-dihydropyridin-4-yl]pyrazol-3-yl]-(1,1-dioxo-1,3-thiazolidin-3-yl)methanone?
The InChIKey is LYFNUOLIUBHOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF4N4O3S/c20-12-5-11(6-13(21)7-12)16-9-15(18(29)27-3-4-32(30,31)10-27)26-28(16)14-1-2-25-17(8-14)19(22,23)24/h2,5-9,17H,1,3-4,10H2.
What are the key properties of [5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-2,5-dihydropyridin-4-yl]pyrazol-3-yl]-(1,1-dioxo-1,3-thiazolidin-3-yl)methanone?
[5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-2,5-dihydropyridin-4-yl]pyrazol-3-yl]-(1,1-dioxo-1,3-thiazolidin-3-yl)methanone has a molecular weight of 490.87 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-2,5-dihydropyridin-4-yl]pyrazol-3-yl]-(1,1-dioxo-1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 123375000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).