5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)pyrazole-4-carboxamide

C21H20Cl3N5O — CID 25185393

IUPAC5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)pyrazole-4-carboxamide
SMILESCN1CCN(NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H20Cl3N5O/c1-27-8-10-28(11-9-27)26-21(30)17-13-25-29(19-7-6-16(23)12-18(19)24)20(17)14-2-4-15(22)5-3-14/h2-7,12-13H,8-11H2,1H3,(H,26,30)
InChIKeyGZWCZWFTYKXPDP-UHFFFAOYSA-N
MW464.78 g/mol
LogP4.39
Rot. Bonds4

About 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)pyrazole-4-carboxamide

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)pyrazole-4-carboxamide (PubChem CID 25185393) has the molecular formula C21H20Cl3N5O and a molecular weight of 464.78 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)pyrazole-4-carboxamide
PubChem CID25185393
Molecular FormulaC21H20Cl3N5O
Molecular Weight464.78 g/mol
Exact Mass463.07
IUPAC Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)pyrazole-4-carboxamide
SMILESCN1CCN(NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H20Cl3N5O/c1-27-8-10-28(11-9-27)26-21(30)17-13-25-29(19-7-6-16(23)12-18(19)24)20(17)14-2-4-15(22)5-3-14/h2-7,12-13H,8-11H2,1H3,(H,26,30)
InChIKeyGZWCZWFTYKXPDP-UHFFFAOYSA-N
XLogP4.39
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.78
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-N-morpholin-4-ylpyrazole-4-carboxamide
CID 25185965
N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(4-methylphenyl)pyrazole-4-carboxamide
CID 25186509
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrrole-3-carboxamide
CID 10095901
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide;sulfuric acid
CID 25026422
1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide;hydrochloride
CID 46837031
N-(azepan-1-yl)-5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 10506183
2-(2,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
CID 4998339
4-[4-[1-(2,4-dichlorophenyl)-4-methyl-3-(piperidin-1-ylcarbamoyl)pyrazol-5-yl]phenyl]benzoic acid
CID 155542177
[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-(piperidin-1-ylcarbamoyl)pyrazol-4-yl]methyl-methylcarbamic acid
CID 89467055
1-(2,4-dichlorophenyl)-5-[4-(hydroxycarbamoyl)phenyl]-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 162713195
N-(azepan-1-yl)-5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazole-3-carboxamide
CID 123755410
5-(4-cyclopropylphenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 24991147

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)pyrazole-4-carboxamide (CID 25185393) is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)pyrazole-4-carboxamide is CN1CCN(NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2-c2ccc(Cl)cc2)CC1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)pyrazole-4-carboxamide?
The InChIKey is GZWCZWFTYKXPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl3N5O/c1-27-8-10-28(11-9-27)26-21(30)17-13-25-29(19-7-6-16(23)12-18(19)24)20(17)14-2-4-15(22)5-3-14/h2-7,12-13H,8-11H2,1H3,(H,26,30).
What are the key properties of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)pyrazole-4-carboxamide?
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)pyrazole-4-carboxamide has a molecular weight of 464.78 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 25185393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).