4-[2-chloro-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole

C19H12ClF3N4O2S2 — CID 10206329

IUPAC4-[2-chloro-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3cscn3)c(Cl)c2)nc1
InChIInChI=1S/C19H12ClF3N4O2S2/c1-31(28,29)12-3-5-18(24-8-12)27-16(7-17(26-27)19(21,22)23)11-2-4-13(14(20)6-11)15-9-30-10-25-15/h2-10H,1H3
InChIKeyHKZPIIJDRGENAW-UHFFFAOYSA-N
MW484.91 g/mol
LogP5.13
Rot. Bonds4

About 4-[2-chloro-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole

4-[2-chloro-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole (PubChem CID 10206329) has the molecular formula C19H12ClF3N4O2S2 and a molecular weight of 484.91 g/mol. Its IUPAC name is 4-[2-chloro-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[2-chloro-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole
PubChem CID10206329
Molecular FormulaC19H12ClF3N4O2S2
Molecular Weight484.91 g/mol
Exact Mass484.00
IUPAC Name4-[2-chloro-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3cscn3)c(Cl)c2)nc1
InChIInChI=1S/C19H12ClF3N4O2S2/c1-31(28,29)12-3-5-18(24-8-12)27-16(7-17(26-27)19(21,22)23)11-2-4-13(14(20)6-11)15-9-30-10-25-15/h2-10H,1H3
InChIKeyHKZPIIJDRGENAW-UHFFFAOYSA-N
XLogP5.13
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.91
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-Chloro-5-phenyl-3-trifluoromethyl-pyrazol-1-yl)-5-methanesulfonyl-pyridine
CID 10135715
2-(5-(3-methyl-4-(thiazol-4-yl)phenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)-5-(methylsulfonyl)pyridine
CID 10139707
2-[5-(4-Chloro-phenyl)-3-difluoromethyl-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 10156830
2-[5-(4-Chloro-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 10157906
2-(3-Difluoromethyl-5-p-tolyl-pyrazol-1-yl)-5-methanesulfonyl-pyridine
CID 10270065
2-(3-(difluoromethyl)-5-(3-methyl-4-(thiazol-4-yl)phenyl)-1H-pyrazol-1-yl)-5-(methylsulfonyl)pyridine
CID 10297392
5-(1-(5-(methylsulfonyl)pyridin-2-yl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)-2-(thiazol-2-yl)benzonitrile
CID 18768821
5-(methylsulfonyl)-2-(5-(4-(thiazol-2-yl)phenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)pyridine
CID 18768833
2-(5-(2-fluoro-4-(thiazol-4-yl)phenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)-5-(methylsulfonyl)pyridine
CID 20601433
5-(methylsulfonyl)-2-(5-(4-(thiazol-4-yl)phenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)pyridine
CID 20601455
5-(methylsulfonyl)-2-(5-(4-(thiazol-5-yl)phenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)pyridine
CID 44410246
2-[3-Difluoromethyl-5-(4-ethyl-phenyl)-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 44386617

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole?
The IUPAC name of 4-[2-chloro-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole (CID 10206329) is 4-[2-chloro-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole.
What is the SMILES notation for 4-[2-chloro-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole?
The canonical SMILES for 4-[2-chloro-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole is CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3cscn3)c(Cl)c2)nc1.
What is the InChIKey of 4-[2-chloro-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole?
The InChIKey is HKZPIIJDRGENAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF3N4O2S2/c1-31(28,29)12-3-5-18(24-8-12)27-16(7-17(26-27)19(21,22)23)11-2-4-13(14(20)6-11)15-9-30-10-25-15/h2-10H,1H3.
What are the key properties of 4-[2-chloro-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole?
4-[2-chloro-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole has a molecular weight of 484.91 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole is sourced from PubChem (CID 10206329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).