[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate

C22H23N3O3S — CID 16503838

IUPAC[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
SMILESCC1CCCN(C(=O)COC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)C1
InChIInChI=1S/C22H23N3O3S/c1-16-7-5-11-24(14-16)21(26)15-28-22(27)19-13-18(20-10-6-12-29-20)23-25(19)17-8-3-2-4-9-17/h2-4,6,8-10,12-13,16H,5,7,11,14-15H2,1H3
InChIKeyVNTZJYLVLUNIJL-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.02
Rot. Bonds5

About [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate

[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate (PubChem CID 16503838) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate.

Molecular Properties

Compound Name[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
PubChem CID16503838
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
SMILESCC1CCCN(C(=O)COC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)C1
InChIInChI=1S/C22H23N3O3S/c1-16-7-5-11-24(14-16)21(26)15-28-22(27)19-13-18(20-10-6-12-29-20)23-25(19)17-8-3-2-4-9-17/h2-4,6,8-10,12-13,16H,5,7,11,14-15H2,1H3
InChIKeyVNTZJYLVLUNIJL-UHFFFAOYSA-N
XLogP4.02
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 1-phenyl-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
2-Phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-(3-nitroanilino)-2-oxoethyl] ester
CID 2437415
[2-(2-Methylpiperidin-1-yl)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
CID 16503751
(2-Amino-2-oxoethyl) 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate
CID 2575240
(2-Oxo-2-piperidin-1-ylethyl) 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate
CID 2346824
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
Ethyl 1-[2-(1-phenyl-3-thiophen-2-ylpyrazole-5-carbonyl)oxyacetyl]piperidine-4-carboxylate
CID 24686217

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate?
The IUPAC name of [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate (CID 16503838) is [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate.
What is the SMILES notation for [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate?
The canonical SMILES for [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate is CC1CCCN(C(=O)COC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)C1.
What is the InChIKey of [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate?
The InChIKey is VNTZJYLVLUNIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-16-7-5-11-24(14-16)21(26)15-28-22(27)19-13-18(20-10-6-12-29-20)23-25(19)17-8-3-2-4-9-17/h2-4,6,8-10,12-13,16H,5,7,11,14-15H2,1H3.
What are the key properties of [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate?
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate has a molecular weight of 409.51 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate is sourced from PubChem (CID 16503838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).