3-(3-ethyl-1-methylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C11H15N3O3S — CID 102810088

IUPAC3-(3-ethyl-1-methylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCc1nn(C)cc1C(=O)N1CSCC1C(=O)O
InChIInChI=1S/C11H15N3O3S/c1-3-8-7(4-13(2)12-8)10(15)14-6-18-5-9(14)11(16)17/h4,9H,3,5-6H2,1-2H3,(H,16,17)
InChIKeyGSZPCXZTKZFTAD-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.58
Rot. Bonds3

About 3-(3-ethyl-1-methylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid

3-(3-ethyl-1-methylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 102810088) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 3-(3-ethyl-1-methylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-ethyl-1-methylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID102810088
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name3-(3-ethyl-1-methylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCc1nn(C)cc1C(=O)N1CSCC1C(=O)O
InChIInChI=1S/C11H15N3O3S/c1-3-8-7(4-13(2)12-8)10(15)14-6-18-5-9(14)11(16)17/h4,9H,3,5-6H2,1-2H3,(H,16,17)
InChIKeyGSZPCXZTKZFTAD-UHFFFAOYSA-N
XLogP0.58
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-1-methylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(3-ethyl-1-methylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 102810088) is 3-(3-ethyl-1-methylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(3-ethyl-1-methylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(3-ethyl-1-methylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CCc1nn(C)cc1C(=O)N1CSCC1C(=O)O.
What is the InChIKey of 3-(3-ethyl-1-methylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is GSZPCXZTKZFTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-3-8-7(4-13(2)12-8)10(15)14-6-18-5-9(14)11(16)17/h4,9H,3,5-6H2,1-2H3,(H,16,17).
What are the key properties of 3-(3-ethyl-1-methylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
3-(3-ethyl-1-methylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 269.33 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-1-methylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 102810088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).