2-(2-propylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

C11H10F3N3O2S — CID 114556528

IUPAC2-(2-propylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESCCCn1nccc1-c1nc(C(F)(F)F)c(C(=O)O)s1
InChIInChI=1S/C11H10F3N3O2S/c1-2-5-17-6(3-4-15-17)9-16-8(11(12,13)14)7(20-9)10(18)19/h3-4H,2,5H2,1H3,(H,18,19)
InChIKeyPHVRNEIFCHTOFD-UHFFFAOYSA-N
MW305.28 g/mol
LogP3.13
Rot. Bonds4

About 2-(2-propylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

2-(2-propylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 114556528) has the molecular formula C11H10F3N3O2S and a molecular weight of 305.28 g/mol. Its IUPAC name is 2-(2-propylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-propylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID114556528
Molecular FormulaC11H10F3N3O2S
Molecular Weight305.28 g/mol
Exact Mass305.04
IUPAC Name2-(2-propylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESCCCn1nccc1-c1nc(C(F)(F)F)c(C(=O)O)s1
InChIInChI=1S/C11H10F3N3O2S/c1-2-5-17-6(3-4-15-17)9-16-8(11(12,13)14)7(20-9)10(18)19/h3-4H,2,5H2,1H3,(H,18,19)
InChIKeyPHVRNEIFCHTOFD-UHFFFAOYSA-N
XLogP3.13
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2-propylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (CID 114556528) is 2-(2-propylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-propylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2-propylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is CCCn1nccc1-c1nc(C(F)(F)F)c(C(=O)O)s1.
What is the InChIKey of 2-(2-propylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is PHVRNEIFCHTOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2S/c1-2-5-17-6(3-4-15-17)9-16-8(11(12,13)14)7(20-9)10(18)19/h3-4H,2,5H2,1H3,(H,18,19).
What are the key properties of 2-(2-propylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
2-(2-propylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 305.28 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114556528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).