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

C21H16N2O2S — CID 59179237

IUPAC5-(4-methyl-3,5-diphenylpyrazol-1-yl)thiophene-2-carboxylic acid
SMILESCc1c(-c2ccccc2)nn(-c2ccc(C(=O)O)s2)c1-c1ccccc1
InChIInChI=1S/C21H16N2O2S/c1-14-19(15-8-4-2-5-9-15)22-23(18-13-12-17(26-18)21(24)25)20(14)16-10-6-3-7-11-16/h2-13H,1H3,(H,24,25)
InChIKeyNSYLJLBUTSTMFP-UHFFFAOYSA-N
MW360.44 g/mol
LogP5.27
Rot. Bonds4

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

5-(4-methyl-3,5-diphenylpyrazol-1-yl)thiophene-2-carboxylic acid (PubChem CID 59179237) has the molecular formula C21H16N2O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is 5-(4-methyl-3,5-diphenylpyrazol-1-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-methyl-3,5-diphenylpyrazol-1-yl)thiophene-2-carboxylic acid
PubChem CID59179237
Molecular FormulaC21H16N2O2S
Molecular Weight360.44 g/mol
Exact Mass360.09
IUPAC Name5-(4-methyl-3,5-diphenylpyrazol-1-yl)thiophene-2-carboxylic acid
SMILESCc1c(-c2ccccc2)nn(-c2ccc(C(=O)O)s2)c1-c1ccccc1
InChIInChI=1S/C21H16N2O2S/c1-14-19(15-8-4-2-5-9-15)22-23(18-13-12-17(26-18)21(24)25)20(14)16-10-6-3-7-11-16/h2-13H,1H3,(H,24,25)
InChIKeyNSYLJLBUTSTMFP-UHFFFAOYSA-N
XLogP5.27
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.44
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-methyl-3,5-diphenylpyrazol-1-yl)thiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-3-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid
CID 2764166
3-methyl-1-phenyl-1H-thieno(2,3-c)pyrazole-5-carboxylic acid
CID 802154
1-(4-fluorophenyl)-3-methyl-1H-thieno(2,3-c)pyrazole-5-carboxylic acid
CID 2329100
1-Benzyl-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid
CID 2363686
3-Methyl-1-(4-methylphenyl)thieno[2,3-c]pyrazole-5-carboxylic acid
CID 674051
1-phenyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carboxylic acid
CID 7144596
3-methyl-1-[3-(trifluoromethyl)phenyl]-1H-thieno[2,3-c]pyrazole-5-carboxylic acid
CID 2341204
4-[5-(2-Thienyl)-3-(trifluoromethyl)pyrazolyl]benzoic acid
CID 4736779
Methyl 1,3-diphenylthieno[2,3-c]pyrazole-5-carboxylate
CID 484001
4-[(1-Phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzoic acid
CID 2311835
4-(3,5-Dimethyl-1-phenylpyrazol-4-yl)-2-[(3-fluorobenzoyl)amino]thiophene-3-carboxylic acid
CID 46183889
5-[1-(2-Phenylethyl)-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxylic acid
CID 58657302

Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-3,5-diphenylpyrazol-1-yl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(4-methyl-3,5-diphenylpyrazol-1-yl)thiophene-2-carboxylic acid (CID 59179237) is 5-(4-methyl-3,5-diphenylpyrazol-1-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(4-methyl-3,5-diphenylpyrazol-1-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(4-methyl-3,5-diphenylpyrazol-1-yl)thiophene-2-carboxylic acid is Cc1c(-c2ccccc2)nn(-c2ccc(C(=O)O)s2)c1-c1ccccc1.
What is the InChIKey of 5-(4-methyl-3,5-diphenylpyrazol-1-yl)thiophene-2-carboxylic acid?
The InChIKey is NSYLJLBUTSTMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2S/c1-14-19(15-8-4-2-5-9-15)22-23(18-13-12-17(26-18)21(24)25)20(14)16-10-6-3-7-11-16/h2-13H,1H3,(H,24,25).
What are the key properties of 5-(4-methyl-3,5-diphenylpyrazol-1-yl)thiophene-2-carboxylic acid?
5-(4-methyl-3,5-diphenylpyrazol-1-yl)thiophene-2-carboxylic acid has a molecular weight of 360.44 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-3,5-diphenylpyrazol-1-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 59179237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).