2-(4-ethyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid

C21H17N3O2S — CID 44611632

IUPAC2-(4-ethyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESCCc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1ccccc1
InChIInChI=1S/C21H17N3O2S/c1-2-16-18(14-9-5-3-6-10-14)23-24(19(16)15-11-7-4-8-12-15)21-22-17(13-27-21)20(25)26/h3-13H,2H2,1H3,(H,25,26)
InChIKeyQVEGFCKFALIBQV-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.92
Rot. Bonds5

About 2-(4-ethyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid

2-(4-ethyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 44611632) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-(4-ethyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID44611632
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC Name2-(4-ethyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESCCc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1ccccc1
InChIInChI=1S/C21H17N3O2S/c1-2-16-18(14-9-5-3-6-10-14)23-24(19(16)15-11-7-4-8-12-15)21-22-17(13-27-21)20(25)26/h3-13H,2H2,1H3,(H,25,26)
InChIKeyQVEGFCKFALIBQV-UHFFFAOYSA-N
XLogP4.92
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(4-ethyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid (CID 44611632) is 2-(4-ethyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-ethyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(4-ethyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid is CCc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1ccccc1.
What is the InChIKey of 2-(4-ethyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is QVEGFCKFALIBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c1-2-16-18(14-9-5-3-6-10-14)23-24(19(16)15-11-7-4-8-12-15)21-22-17(13-27-21)20(25)26/h3-13H,2H2,1H3,(H,25,26).
What are the key properties of 2-(4-ethyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
2-(4-ethyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 375.45 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 44611632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).