5-(4-chlorophenyl)-N-cyclohexyl-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide

C23H22Cl3N3O — CID 10367110

IUPAC5-(4-chlorophenyl)-N-cyclohexyl-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H22Cl3N3O/c1-14-21(23(30)27-18-5-3-2-4-6-18)28-29(20-12-11-17(25)13-19(20)26)22(14)15-7-9-16(24)10-8-15/h7-13,18H,2-6H2,1H3,(H,27,30)
InChIKeyQGXADYZSETUYHM-UHFFFAOYSA-N
MW462.81 g/mol
LogP6.87
Rot. Bonds4

About 5-(4-chlorophenyl)-N-cyclohexyl-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide

5-(4-chlorophenyl)-N-cyclohexyl-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide (PubChem CID 10367110) has the molecular formula C23H22Cl3N3O and a molecular weight of 462.81 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-cyclohexyl-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-cyclohexyl-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
PubChem CID10367110
Molecular FormulaC23H22Cl3N3O
Molecular Weight462.81 g/mol
Exact Mass461.08
IUPAC Name5-(4-chlorophenyl)-N-cyclohexyl-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H22Cl3N3O/c1-14-21(23(30)27-18-5-3-2-4-6-18)28-29(20-12-11-17(25)13-19(20)26)22(14)15-7-9-16(24)10-8-15/h7-13,18H,2-6H2,1H3,(H,27,30)
InChIKeyQGXADYZSETUYHM-UHFFFAOYSA-N
XLogP6.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.81
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-cyclohexyl-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-cyclohexyl-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide (CID 10367110) is 5-(4-chlorophenyl)-N-cyclohexyl-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-cyclohexyl-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-cyclohexyl-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide is Cc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-cyclohexyl-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide?
The InChIKey is QGXADYZSETUYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl3N3O/c1-14-21(23(30)27-18-5-3-2-4-6-18)28-29(20-12-11-17(25)13-19(20)26)22(14)15-7-9-16(24)10-8-15/h7-13,18H,2-6H2,1H3,(H,27,30).
What are the key properties of 5-(4-chlorophenyl)-N-cyclohexyl-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide?
5-(4-chlorophenyl)-N-cyclohexyl-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide has a molecular weight of 462.81 g/mol, XLogP of 6.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-cyclohexyl-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide is sourced from PubChem (CID 10367110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).