5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(4-methylpiperazin-1-yl)pyrazole-3-carboxamide

C22H22Cl3N5O — CID 23652124

IUPAC5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(4-methylpiperazin-1-yl)pyrazole-3-carboxamide
SMILESCc1c(C(=O)NN2CCN(C)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H22Cl3N5O/c1-14-20(22(31)27-29-11-9-28(2)10-12-29)26-30(19-8-7-17(24)13-18(19)25)21(14)15-3-5-16(23)6-4-15/h3-8,13H,9-12H2,1-2H3,(H,27,31)
InChIKeyJZPDSTUBURERTQ-UHFFFAOYSA-N
MW478.81 g/mol
LogP4.70
Rot. Bonds4

About 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(4-methylpiperazin-1-yl)pyrazole-3-carboxamide

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(4-methylpiperazin-1-yl)pyrazole-3-carboxamide (PubChem CID 23652124) has the molecular formula C22H22Cl3N5O and a molecular weight of 478.81 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(4-methylpiperazin-1-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(4-methylpiperazin-1-yl)pyrazole-3-carboxamide
PubChem CID23652124
Molecular FormulaC22H22Cl3N5O
Molecular Weight478.81 g/mol
Exact Mass477.09
IUPAC Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(4-methylpiperazin-1-yl)pyrazole-3-carboxamide
SMILESCc1c(C(=O)NN2CCN(C)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H22Cl3N5O/c1-14-20(22(31)27-29-11-9-28(2)10-12-29)26-30(19-8-7-17(24)13-18(19)25)21(14)15-3-5-16(23)6-4-15/h3-8,13H,9-12H2,1-2H3,(H,27,31)
InChIKeyJZPDSTUBURERTQ-UHFFFAOYSA-N
XLogP4.70
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.81
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(4-methylpiperazin-1-yl)pyrazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(4-methylpiperazin-1-yl)pyrazole-3-carboxamide (CID 23652124) is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(4-methylpiperazin-1-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(4-methylpiperazin-1-yl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(4-methylpiperazin-1-yl)pyrazole-3-carboxamide is Cc1c(C(=O)NN2CCN(C)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(4-methylpiperazin-1-yl)pyrazole-3-carboxamide?
The InChIKey is JZPDSTUBURERTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl3N5O/c1-14-20(22(31)27-29-11-9-28(2)10-12-29)26-30(19-8-7-17(24)13-18(19)25)21(14)15-3-5-16(23)6-4-15/h3-8,13H,9-12H2,1-2H3,(H,27,31).
What are the key properties of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(4-methylpiperazin-1-yl)pyrazole-3-carboxamide?
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(4-methylpiperazin-1-yl)pyrazole-3-carboxamide has a molecular weight of 478.81 g/mol, XLogP of 4.70, 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)-4-methyl-N-(4-methylpiperazin-1-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 23652124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).