5-chloro-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-1-(4-fluorophenyl)-N,3-dimethylpyrazole-4-carboxamide

C24H26ClFN4O4 — CID 24982536

IUPAC5-chloro-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-1-(4-fluorophenyl)-N,3-dimethylpyrazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)cc1OCC
InChIInChI=1S/C24H26ClFN4O4/c1-5-33-19-12-9-17(13-20(19)34-6-2)27-21(31)14-29(4)24(32)22-15(3)28-30(23(22)25)18-10-7-16(26)8-11-18/h7-13H,5-6,14H2,1-4H3,(H,27,31)
InChIKeyQWAFKUPIQKOMSD-UHFFFAOYSA-N
MW488.95 g/mol
LogP4.48
Rot. Bonds9

About 5-chloro-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-1-(4-fluorophenyl)-N,3-dimethylpyrazole-4-carboxamide

5-chloro-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-1-(4-fluorophenyl)-N,3-dimethylpyrazole-4-carboxamide (PubChem CID 24982536) has the molecular formula C24H26ClFN4O4 and a molecular weight of 488.95 g/mol. Its IUPAC name is 5-chloro-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-1-(4-fluorophenyl)-N,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-1-(4-fluorophenyl)-N,3-dimethylpyrazole-4-carboxamide
PubChem CID24982536
Molecular FormulaC24H26ClFN4O4
Molecular Weight488.95 g/mol
Exact Mass488.16
IUPAC Name5-chloro-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-1-(4-fluorophenyl)-N,3-dimethylpyrazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)cc1OCC
InChIInChI=1S/C24H26ClFN4O4/c1-5-33-19-12-9-17(13-20(19)34-6-2)27-21(31)14-29(4)24(32)22-15(3)28-30(23(22)25)18-10-7-16(26)8-11-18/h7-13H,5-6,14H2,1-4H3,(H,27,31)
InChIKeyQWAFKUPIQKOMSD-UHFFFAOYSA-N
XLogP4.48
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.95
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-1-(4-fluorophenyl)-N,3-dimethylpyrazole-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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-1-(4-fluorophenyl)-N,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-1-(4-fluorophenyl)-N,3-dimethylpyrazole-4-carboxamide (CID 24982536) is 5-chloro-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-1-(4-fluorophenyl)-N,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-1-(4-fluorophenyl)-N,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-1-(4-fluorophenyl)-N,3-dimethylpyrazole-4-carboxamide is CCOc1ccc(NC(=O)CN(C)C(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)cc1OCC.
What is the InChIKey of 5-chloro-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-1-(4-fluorophenyl)-N,3-dimethylpyrazole-4-carboxamide?
The InChIKey is QWAFKUPIQKOMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN4O4/c1-5-33-19-12-9-17(13-20(19)34-6-2)27-21(31)14-29(4)24(32)22-15(3)28-30(23(22)25)18-10-7-16(26)8-11-18/h7-13H,5-6,14H2,1-4H3,(H,27,31).
What are the key properties of 5-chloro-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-1-(4-fluorophenyl)-N,3-dimethylpyrazole-4-carboxamide?
5-chloro-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-1-(4-fluorophenyl)-N,3-dimethylpyrazole-4-carboxamide has a molecular weight of 488.95 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-1-(4-fluorophenyl)-N,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 24982536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).