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

C11H10F3N3O2S — CID 1498289

IUPAC2-[3-propan-2-yl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)c1cc(C(F)(F)F)n(-c2nc(C(=O)O)cs2)n1
InChIInChI=1S/C11H10F3N3O2S/c1-5(2)6-3-8(11(12,13)14)17(16-6)10-15-7(4-20-10)9(18)19/h3-5H,1-2H3,(H,18,19)
InChIKeyWUTQEWPQISPRGG-UHFFFAOYSA-N
MW305.28 g/mol
LogP3.17
Rot. Bonds3

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

2-[3-propan-2-yl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 1498289) has the molecular formula C11H10F3N3O2S and a molecular weight of 305.28 g/mol. Its IUPAC name is 2-[3-propan-2-yl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-propan-2-yl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID1498289
Molecular FormulaC11H10F3N3O2S
Molecular Weight305.28 g/mol
Exact Mass305.04
IUPAC Name2-[3-propan-2-yl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)c1cc(C(F)(F)F)n(-c2nc(C(=O)O)cs2)n1
InChIInChI=1S/C11H10F3N3O2S/c1-5(2)6-3-8(11(12,13)14)17(16-6)10-15-7(4-20-10)9(18)19/h3-5H,1-2H3,(H,18,19)
InChIKeyWUTQEWPQISPRGG-UHFFFAOYSA-N
XLogP3.17
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-propan-2-yl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[3-propan-2-yl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid (CID 1498289) is 2-[3-propan-2-yl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[3-propan-2-yl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[3-propan-2-yl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid is CC(C)c1cc(C(F)(F)F)n(-c2nc(C(=O)O)cs2)n1.
What is the InChIKey of 2-[3-propan-2-yl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is WUTQEWPQISPRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2S/c1-5(2)6-3-8(11(12,13)14)17(16-6)10-15-7(4-20-10)9(18)19/h3-5H,1-2H3,(H,18,19).
What are the key properties of 2-[3-propan-2-yl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid?
2-[3-propan-2-yl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 305.28 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-propan-2-yl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 1498289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).