ethyl 1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxylate

C16H13FN2O2S — CID 4255940

IUPACethyl 1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2cccs2)nn1-c1ccc(F)cc1
InChIInChI=1S/C16H13FN2O2S/c1-2-21-16(20)14-10-13(15-4-3-9-22-15)18-19(14)12-7-5-11(17)6-8-12/h3-10H,2H2,1H3
InChIKeyGNPPYLDKMSZBAI-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.92
Rot. Bonds4

About ethyl 1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxylate

ethyl 1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxylate (PubChem CID 4255940) has the molecular formula C16H13FN2O2S and a molecular weight of 316.36 g/mol. Its IUPAC name is ethyl 1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxylate
PubChem CID4255940
Molecular FormulaC16H13FN2O2S
Molecular Weight316.36 g/mol
Exact Mass316.07
IUPAC Nameethyl 1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2cccs2)nn1-c1ccc(F)cc1
InChIInChI=1S/C16H13FN2O2S/c1-2-21-16(20)14-10-13(15-4-3-9-22-15)18-19(14)12-7-5-11(17)6-8-12/h3-10H,2H2,1H3
InChIKeyGNPPYLDKMSZBAI-UHFFFAOYSA-N
XLogP3.92
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxylate 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

Methyl 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate
CID 4460332
1-(3-Chlorophenyl)-3-(2-thienyl)-1H-pyrazole-5-carboxylic acid
CID 2060456
2-Phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-(3-nitroanilino)-2-oxoethyl] ester
CID 2437415
[2-(4-Fluoro-3-nitroanilino)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
CID 2438020
[2-(2-Methylpiperidin-1-yl)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
CID 16503751
[2-(3-Methylpiperidin-1-yl)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
CID 16503838
Ethyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate
CID 56659691
Methyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate
CID 56663151
2,2,2-Trifluoroethyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate
CID 56663155
Propan-2-yl 1-(thiophene-3-carbonyl)indazole-3-carboxylate
CID 56666606
(2-Amino-2-oxoethyl) 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate
CID 2575240
1-(4-fluorophenyl)-3-(thiophen-2-yl)-1H-pyrazole-5-carboxylic acid
CID 812092

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxylate?
The IUPAC name of ethyl 1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxylate (CID 4255940) is ethyl 1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxylate?
The canonical SMILES for ethyl 1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxylate is CCOC(=O)c1cc(-c2cccs2)nn1-c1ccc(F)cc1.
What is the InChIKey of ethyl 1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxylate?
The InChIKey is GNPPYLDKMSZBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2S/c1-2-21-16(20)14-10-13(15-4-3-9-22-15)18-19(14)12-7-5-11(17)6-8-12/h3-10H,2H2,1H3.
What are the key properties of ethyl 1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxylate?
ethyl 1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxylate is sourced from PubChem (CID 4255940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).