1-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]pyrazole-3-carboxamide

C22H24ClN5O — CID 55925377

IUPAC1-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]pyrazole-3-carboxamide
SMILESCCN1CCN(c2ccccc2NC(=O)c2ccn(-c3cccc(Cl)c3)n2)CC1
InChIInChI=1S/C22H24ClN5O/c1-2-26-12-14-27(15-13-26)21-9-4-3-8-19(21)24-22(29)20-10-11-28(25-20)18-7-5-6-17(23)16-18/h3-11,16H,2,12-15H2,1H3,(H,24,29)
InChIKeyVHNIVTJWHUUVIC-UHFFFAOYSA-N
MW409.92 g/mol
LogP3.92
Rot. Bonds5

About 1-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]pyrazole-3-carboxamide

1-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]pyrazole-3-carboxamide (PubChem CID 55925377) has the molecular formula C22H24ClN5O and a molecular weight of 409.92 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]pyrazole-3-carboxamide
PubChem CID55925377
Molecular FormulaC22H24ClN5O
Molecular Weight409.92 g/mol
Exact Mass409.17
IUPAC Name1-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]pyrazole-3-carboxamide
SMILESCCN1CCN(c2ccccc2NC(=O)c2ccn(-c3cccc(Cl)c3)n2)CC1
InChIInChI=1S/C22H24ClN5O/c1-2-26-12-14-27(15-13-26)21-9-4-3-8-19(21)24-22(29)20-10-11-28(25-20)18-7-5-6-17(23)16-18/h3-11,16H,2,12-15H2,1H3,(H,24,29)
InChIKeyVHNIVTJWHUUVIC-UHFFFAOYSA-N
XLogP3.92
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]pyrazole-3-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

[1-(3-chlorophenyl)pyrazol-3-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 55930139
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-iodobenzamide
CID 18190160
5-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide
CID 120647841
6-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2H-chromene-3-carboxamide
CID 55441969
2-bromo-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 39737929
1-[2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide
CID 55966834
N-(5-carbamoyl-2-methoxyphenyl)-1-(3-chlorophenyl)pyrazole-3-carboxamide
CID 55924906
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide
CID 39518918
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 18189949
N-[4-amino-2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 50881129
3-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 46534358
1-(3-chlorophenyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 55929884

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]pyrazole-3-carboxamide (CID 55925377) is 1-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]pyrazole-3-carboxamide is CCN1CCN(c2ccccc2NC(=O)c2ccn(-c3cccc(Cl)c3)n2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]pyrazole-3-carboxamide?
The InChIKey is VHNIVTJWHUUVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O/c1-2-26-12-14-27(15-13-26)21-9-4-3-8-19(21)24-22(29)20-10-11-28(25-20)18-7-5-6-17(23)16-18/h3-11,16H,2,12-15H2,1H3,(H,24,29).
What are the key properties of 1-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]pyrazole-3-carboxamide?
1-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]pyrazole-3-carboxamide has a molecular weight of 409.92 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 55925377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).