2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid

C15H10F3N3O3S — CID 1498200

IUPAC2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc(-c2cc(C(F)(F)F)nn2-c2nc(C(=O)O)cs2)cc1
InChIInChI=1S/C15H10F3N3O3S/c1-24-9-4-2-8(3-5-9)11-6-12(15(16,17)18)20-21(11)14-19-10(7-25-14)13(22)23/h2-7H,1H3,(H,22,23)
InChIKeyWSWQLECWQBCTGC-UHFFFAOYSA-N
MW369.32 g/mol
LogP3.72
Rot. Bonds4

About 2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid

2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 1498200) has the molecular formula C15H10F3N3O3S and a molecular weight of 369.32 g/mol. Its IUPAC name is 2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID1498200
Molecular FormulaC15H10F3N3O3S
Molecular Weight369.32 g/mol
Exact Mass369.04
IUPAC Name2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc(-c2cc(C(F)(F)F)nn2-c2nc(C(=O)O)cs2)cc1
InChIInChI=1S/C15H10F3N3O3S/c1-24-9-4-2-8(3-5-9)11-6-12(15(16,17)18)20-21(11)14-19-10(7-25-14)13(22)23/h2-7H,1H3,(H,22,23)
InChIKeyWSWQLECWQBCTGC-UHFFFAOYSA-N
XLogP3.72
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.32
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid (CID 1498200) is 2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid is COc1ccc(-c2cc(C(F)(F)F)nn2-c2nc(C(=O)O)cs2)cc1.
What is the InChIKey of 2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is WSWQLECWQBCTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O3S/c1-24-9-4-2-8(3-5-9)11-6-12(15(16,17)18)20-21(11)14-19-10(7-25-14)13(22)23/h2-7H,1H3,(H,22,23).
What are the key properties of 2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid?
2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 369.32 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 1498200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).