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

C20H15F3N4O2S2 — CID 10139707

IUPAC4-[2-methyl-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole
SMILESCc1cc(-c2cc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)ccc1-c1cscn1
InChIInChI=1S/C20H15F3N4O2S2/c1-12-7-13(3-5-15(12)16-10-30-11-25-16)17-8-18(20(21,22)23)26-27(17)19-6-4-14(9-24-19)31(2,28)29/h3-11H,1-2H3
InChIKeyOFFMVFJBPPLZQX-UHFFFAOYSA-N
MW464.49 g/mol
LogP4.79
Rot. Bonds4

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

4-[2-methyl-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole (PubChem CID 10139707) has the molecular formula C20H15F3N4O2S2 and a molecular weight of 464.49 g/mol. Its IUPAC name is 4-[2-methyl-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[2-methyl-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole
PubChem CID10139707
Molecular FormulaC20H15F3N4O2S2
Molecular Weight464.49 g/mol
Exact Mass464.06
IUPAC Name4-[2-methyl-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole
SMILESCc1cc(-c2cc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)ccc1-c1cscn1
InChIInChI=1S/C20H15F3N4O2S2/c1-12-7-13(3-5-15(12)16-10-30-11-25-16)17-8-18(20(21,22)23)26-27(17)19-6-4-14(9-24-19)31(2,28)29/h3-11H,1-2H3
InChIKeyOFFMVFJBPPLZQX-UHFFFAOYSA-N
XLogP4.79
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.49
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-pyridinyl)-1H-pyrazol-5-amine
CID 1474437
5-Methanesulfonyl-2-(5-phenyl-3-trifluoromethyl-pyrazol-1-yl)-pyridine
CID 9947370
2-(3-Difluoromethyl-5-phenyl-pyrazol-1-yl)-5-methanesulfonyl-pyridine
CID 9968215
2-[5-(4-Fluoro-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 10110609
{4-[2-(5-Methanesulfonyl-pyridin-2-yl)-5-trifluoromethyl-2H-pyrazol-3-yl]-phenyl}-dimethyl-amine
CID 10136249
2-(5-(3-chloro-4-(thiazol-4-yl)phenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)-5-(methylsulfonyl)pyridine
CID 10206329
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
2-(5-Cyclohexyl-3-trifluoromethyl-pyrazol-1-yl)-5-methanesulfonyl-pyridine
CID 11349305
5-(2-fluorobenzylthio)-1-(5-(methylsulfonyl)pyridin-2-yl)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile
CID 12149006
2-[3-Difluoromethyl-5-(4-fluoro-phenyl)-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 18624104
5-Methanesulfonyl-2-(4-methyl-5-phenyl-3-trifluoromethyl-pyrazol-1-yl)-pyridine
CID 18624133

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole?
The IUPAC name of 4-[2-methyl-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole (CID 10139707) is 4-[2-methyl-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole.
What is the SMILES notation for 4-[2-methyl-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole?
The canonical SMILES for 4-[2-methyl-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole is Cc1cc(-c2cc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)ccc1-c1cscn1.
What is the InChIKey of 4-[2-methyl-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole?
The InChIKey is OFFMVFJBPPLZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O2S2/c1-12-7-13(3-5-15(12)16-10-30-11-25-16)17-8-18(20(21,22)23)26-27(17)19-6-4-14(9-24-19)31(2,28)29/h3-11H,1-2H3.
What are the key properties of 4-[2-methyl-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole?
4-[2-methyl-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole has a molecular weight of 464.49 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole is sourced from PubChem (CID 10139707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).