5-ethyl-1-(4-fluorophenyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyrazole-4-carboxamide

C23H27FN6O3S — CID 46455840

IUPAC5-ethyl-1-(4-fluorophenyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C23H27FN6O3S/c1-2-21-20(17-27-30(21)19-8-6-18(24)7-9-19)23(31)26-11-16-34(32,33)29-14-12-28(13-15-29)22-5-3-4-10-25-22/h3-10,17H,2,11-16H2,1H3,(H,26,31)
InChIKeyLKVLXPRUCNRGAH-UHFFFAOYSA-N
MW486.57 g/mol
LogP1.85
Rot. Bonds8

About 5-ethyl-1-(4-fluorophenyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyrazole-4-carboxamide

5-ethyl-1-(4-fluorophenyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyrazole-4-carboxamide (PubChem CID 46455840) has the molecular formula C23H27FN6O3S and a molecular weight of 486.57 g/mol. Its IUPAC name is 5-ethyl-1-(4-fluorophenyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-1-(4-fluorophenyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyrazole-4-carboxamide
PubChem CID46455840
Molecular FormulaC23H27FN6O3S
Molecular Weight486.57 g/mol
Exact Mass486.18
IUPAC Name5-ethyl-1-(4-fluorophenyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C23H27FN6O3S/c1-2-21-20(17-27-30(21)19-8-6-18(24)7-9-19)23(31)26-11-16-34(32,33)29-14-12-28(13-15-29)22-5-3-4-10-25-22/h3-10,17H,2,11-16H2,1H3,(H,26,31)
InChIKeyLKVLXPRUCNRGAH-UHFFFAOYSA-N
XLogP1.85
TPSA100.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-ethyl-1-(4-fluorophenyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyrazole-4-carboxamide 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

4-fluoro-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide
CID 46455798
5-ethyl-N-(2-methylsulfonylethyl)-1-phenylpyrazole-4-carboxamide
CID 60545454
2-methyl-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide
CID 55692362
4-acetamido-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide
CID 47031694
3-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]propanoic acid
CID 119176883
2-(4-fluorophenoxy)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42438580
2-phenylsulfanyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyridine-3-carboxamide
CID 55692390
3-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]furan-2-carboxamide
CID 55692437
2-(2-ethoxyphenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
CID 55838125
5-ethyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55660071
N-(3-aminopropyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119406144
2-bromo-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42439001

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(4-fluorophenyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-1-(4-fluorophenyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyrazole-4-carboxamide (CID 46455840) is 5-ethyl-1-(4-fluorophenyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-1-(4-fluorophenyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-1-(4-fluorophenyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyrazole-4-carboxamide is CCc1c(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cnn1-c1ccc(F)cc1.
What is the InChIKey of 5-ethyl-1-(4-fluorophenyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyrazole-4-carboxamide?
The InChIKey is LKVLXPRUCNRGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN6O3S/c1-2-21-20(17-27-30(21)19-8-6-18(24)7-9-19)23(31)26-11-16-34(32,33)29-14-12-28(13-15-29)22-5-3-4-10-25-22/h3-10,17H,2,11-16H2,1H3,(H,26,31).
What are the key properties of 5-ethyl-1-(4-fluorophenyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyrazole-4-carboxamide?
5-ethyl-1-(4-fluorophenyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyrazole-4-carboxamide has a molecular weight of 486.57 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(4-fluorophenyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 46455840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).