ethyl 1-[2-(1-phenyl-3-thiophen-2-ylpyrazole-5-carbonyl)oxyacetyl]piperidine-4-carboxylate

C24H25N3O5S — CID 24686217

IUPACethyl 1-[2-(1-phenyl-3-thiophen-2-ylpyrazole-5-carbonyl)oxyacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)CC1
InChIInChI=1S/C24H25N3O5S/c1-2-31-23(29)17-10-12-26(13-11-17)22(28)16-32-24(30)20-15-19(21-9-6-14-33-21)25-27(20)18-7-4-3-5-8-18/h3-9,14-15,17H,2,10-13,16H2,1H3
InChIKeyBEPFUMQTAUAOHK-UHFFFAOYSA-N
MW467.55 g/mol
LogP3.56
Rot. Bonds7

About ethyl 1-[2-(1-phenyl-3-thiophen-2-ylpyrazole-5-carbonyl)oxyacetyl]piperidine-4-carboxylate

ethyl 1-[2-(1-phenyl-3-thiophen-2-ylpyrazole-5-carbonyl)oxyacetyl]piperidine-4-carboxylate (PubChem CID 24686217) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is ethyl 1-[2-(1-phenyl-3-thiophen-2-ylpyrazole-5-carbonyl)oxyacetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(1-phenyl-3-thiophen-2-ylpyrazole-5-carbonyl)oxyacetyl]piperidine-4-carboxylate
PubChem CID24686217
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC Nameethyl 1-[2-(1-phenyl-3-thiophen-2-ylpyrazole-5-carbonyl)oxyacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)CC1
InChIInChI=1S/C24H25N3O5S/c1-2-31-23(29)17-10-12-26(13-11-17)22(28)16-32-24(30)20-15-19(21-9-6-14-33-21)25-27(20)18-7-4-3-5-8-18/h3-9,14-15,17H,2,10-13,16H2,1H3
InChIKeyBEPFUMQTAUAOHK-UHFFFAOYSA-N
XLogP3.56
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 1-[2-(1-phenyl-3-thiophen-2-ylpyrazole-5-carbonyl)oxyacetyl]piperidine-4-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
2-Phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-(3-nitroanilino)-2-oxoethyl] ester
CID 2437415
[2-(4-Methyl-3-nitroanilino)-2-oxoethyl] 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate
CID 2449636
[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
(2-Amino-2-oxoethyl) 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate
CID 2575240
Ethyl 1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-5-carboxylate
CID 2421472
[2-[(1,1-Dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 1,3-diphenylpyrazole-5-carboxylate
CID 4967626
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
CID 24686989
Methyl 1-[2-(1-phenyl-3-thiophen-2-ylpyrazole-5-carbonyl)oxyacetyl]piperidine-4-carboxylate
CID 24687951
Propyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate
CID 56680170
Ethyl 1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxylate
CID 4255940

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(1-phenyl-3-thiophen-2-ylpyrazole-5-carbonyl)oxyacetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(1-phenyl-3-thiophen-2-ylpyrazole-5-carbonyl)oxyacetyl]piperidine-4-carboxylate (CID 24686217) is ethyl 1-[2-(1-phenyl-3-thiophen-2-ylpyrazole-5-carbonyl)oxyacetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(1-phenyl-3-thiophen-2-ylpyrazole-5-carbonyl)oxyacetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(1-phenyl-3-thiophen-2-ylpyrazole-5-carbonyl)oxyacetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)COC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)CC1.
What is the InChIKey of ethyl 1-[2-(1-phenyl-3-thiophen-2-ylpyrazole-5-carbonyl)oxyacetyl]piperidine-4-carboxylate?
The InChIKey is BEPFUMQTAUAOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-2-31-23(29)17-10-12-26(13-11-17)22(28)16-32-24(30)20-15-19(21-9-6-14-33-21)25-27(20)18-7-4-3-5-8-18/h3-9,14-15,17H,2,10-13,16H2,1H3.
What are the key properties of ethyl 1-[2-(1-phenyl-3-thiophen-2-ylpyrazole-5-carbonyl)oxyacetyl]piperidine-4-carboxylate?
ethyl 1-[2-(1-phenyl-3-thiophen-2-ylpyrazole-5-carbonyl)oxyacetyl]piperidine-4-carboxylate has a molecular weight of 467.55 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(1-phenyl-3-thiophen-2-ylpyrazole-5-carbonyl)oxyacetyl]piperidine-4-carboxylate is sourced from PubChem (CID 24686217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).