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

C21H17N3O2S — CID 59179219

IUPAC5-methyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(-n2nc(-c3ccccc3)c(C)c2-c2ccccc2)nc1C(=O)O
InChIInChI=1S/C21H17N3O2S/c1-13-17(15-9-5-3-6-10-15)23-24(19(13)16-11-7-4-8-12-16)21-22-18(20(25)26)14(2)27-21/h3-12H,1-2H3,(H,25,26)
InChIKeySEQNTTOUGDMQOG-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.98
Rot. Bonds4

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

5-methyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 59179219) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is 5-methyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID59179219
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC Name5-methyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(-n2nc(-c3ccccc3)c(C)c2-c2ccccc2)nc1C(=O)O
InChIInChI=1S/C21H17N3O2S/c1-13-17(15-9-5-3-6-10-15)23-24(19(13)16-11-7-4-8-12-16)21-22-18(20(25)26)14(2)27-21/h3-12H,1-2H3,(H,25,26)
InChIKeySEQNTTOUGDMQOG-UHFFFAOYSA-N
XLogP4.98
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-phenyl-4H-indeno[2,1-d]pyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 59179305
2-(6-Methyl-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 68258993
2-(3-Phenyl-5-(trifluoromethyl)-1H-pyrazol-1-yl)thiazole-4-carboxylic acid
CID 1498318
2-[3-(3-Fluorophenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 44611364
2-(4-Hydroxy-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 44611631
2-(4-Chloro-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 44611633
2-(4-Fluoro-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 44611763
2-[5-(3-Fluorophenyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 44611764
2-(4-Methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 46220498
2-(3-Phenyl-1h-indazol-1-yl)thiazole-4-carboxylic acid
CID 46220500
2-(4-Methyl-3-phenyl-5-thiophen-3-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 59179256
2-(4-Amino-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 59179260

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-methyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid (CID 59179219) is 5-methyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid is Cc1sc(-n2nc(-c3ccccc3)c(C)c2-c2ccccc2)nc1C(=O)O.
What is the InChIKey of 5-methyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is SEQNTTOUGDMQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c1-13-17(15-9-5-3-6-10-15)23-24(19(13)16-11-7-4-8-12-16)21-22-18(20(25)26)14(2)27-21/h3-12H,1-2H3,(H,25,26).
What are the key properties of 5-methyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
5-methyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 375.45 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 59179219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).