1-(4-ethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazole-4-carboxylic acid

C11H13N3O2S — CID 62961208

IUPAC1-(4-ethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazole-4-carboxylic acid
SMILESCCc1csc(-n2nc(C)c(C(=O)O)c2C)n1
InChIInChI=1S/C11H13N3O2S/c1-4-8-5-17-11(12-8)14-7(3)9(10(15)16)6(2)13-14/h5H,4H2,1-3H3,(H,15,16)
InChIKeyIOFJTBSWQACDDL-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.21
Rot. Bonds3

About 1-(4-ethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazole-4-carboxylic acid

1-(4-ethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazole-4-carboxylic acid (PubChem CID 62961208) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 1-(4-ethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazole-4-carboxylic acid
PubChem CID62961208
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name1-(4-ethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazole-4-carboxylic acid
SMILESCCc1csc(-n2nc(C)c(C(=O)O)c2C)n1
InChIInChI=1S/C11H13N3O2S/c1-4-8-5-17-11(12-8)14-7(3)9(10(15)16)6(2)13-14/h5H,4H2,1-3H3,(H,15,16)
InChIKeyIOFJTBSWQACDDL-UHFFFAOYSA-N
XLogP2.21
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(4-ethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazole-4-carboxylic acid (CID 62961208) is 1-(4-ethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-ethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(4-ethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazole-4-carboxylic acid is CCc1csc(-n2nc(C)c(C(=O)O)c2C)n1.
What is the InChIKey of 1-(4-ethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazole-4-carboxylic acid?
The InChIKey is IOFJTBSWQACDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-4-8-5-17-11(12-8)14-7(3)9(10(15)16)6(2)13-14/h5H,4H2,1-3H3,(H,15,16).
What are the key properties of 1-(4-ethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazole-4-carboxylic acid?
1-(4-ethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazole-4-carboxylic acid has a molecular weight of 251.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazole-4-carboxylic acid is sourced from PubChem (CID 62961208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).