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

C19H15ClF4N4O3S — CID 118006384

IUPAC[5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-3-yl]-(1,1-dihydroxy-1,3-thiazolidin-3-yl)methanone
SMILESO=C(c1cc(-c2cc(F)cc(Cl)c2)n(-c2ccnc(C(F)(F)F)c2)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/h1-2,5-9,30-31H,3-4,10H2
InChIKeyLBWPZPRDRZXQEB-UHFFFAOYSA-N
MW490.87 g/mol
LogP4.91
Rot. Bonds3

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

[5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-3-yl]-(1,1-dihydroxy-1,3-thiazolidin-3-yl)methanone (PubChem CID 118006384) 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)-4-pyridinyl]pyrazol-3-yl]-(1,1-dihydroxy-1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Name[5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-3-yl]-(1,1-dihydroxy-1,3-thiazolidin-3-yl)methanone
PubChem CID118006384
Molecular FormulaC19H15ClF4N4O3S
Molecular Weight490.87 g/mol
Exact Mass490.05
IUPAC Name[5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-3-yl]-(1,1-dihydroxy-1,3-thiazolidin-3-yl)methanone
SMILESO=C(c1cc(-c2cc(F)cc(Cl)c2)n(-c2ccnc(C(F)(F)F)c2)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/h1-2,5-9,30-31H,3-4,10H2
InChIKeyLBWPZPRDRZXQEB-UHFFFAOYSA-N
XLogP4.91
TPSA91.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.87
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-3-yl]-(1,1-dihydroxy-1,3-thiazolidin-3-yl)methanone?
The IUPAC name of [5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-3-yl]-(1,1-dihydroxy-1,3-thiazolidin-3-yl)methanone (CID 118006384) is [5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-3-yl]-(1,1-dihydroxy-1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for [5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-3-yl]-(1,1-dihydroxy-1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for [5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-3-yl]-(1,1-dihydroxy-1,3-thiazolidin-3-yl)methanone is O=C(c1cc(-c2cc(F)cc(Cl)c2)n(-c2ccnc(C(F)(F)F)c2)n1)N1CCS(O)(O)C1.
What is the InChIKey of [5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-3-yl]-(1,1-dihydroxy-1,3-thiazolidin-3-yl)methanone?
The InChIKey is LBWPZPRDRZXQEB-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/h1-2,5-9,30-31H,3-4,10H2.
What are the key properties of [5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-3-yl]-(1,1-dihydroxy-1,3-thiazolidin-3-yl)methanone?
[5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-3-yl]-(1,1-dihydroxy-1,3-thiazolidin-3-yl)methanone has a molecular weight of 490.87 g/mol, XLogP of 4.91, 3 rotatable bonds, 2 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)-4-pyridinyl]pyrazol-3-yl]-(1,1-dihydroxy-1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 118006384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).