5-(4-cyanophenyl)-N-cyclohexyl-1-(2,4-dichlorophenyl)-N,4-dimethylpyrazole-3-carboxamide

C25H24Cl2N4O — CID 70646450

IUPAC5-(4-cyanophenyl)-N-cyclohexyl-1-(2,4-dichlorophenyl)-N,4-dimethylpyrazole-3-carboxamide
SMILESCc1c(C(=O)N(C)C2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C#N)cc1
InChIInChI=1S/C25H24Cl2N4O/c1-16-23(25(32)30(2)20-6-4-3-5-7-20)29-31(22-13-12-19(26)14-21(22)27)24(16)18-10-8-17(15-28)9-11-18/h8-14,20H,3-7H2,1-2H3
InChIKeyTVHOVBPRNAERQX-UHFFFAOYSA-N
MW467.40 g/mol
LogP6.43
Rot. Bonds4

About 5-(4-cyanophenyl)-N-cyclohexyl-1-(2,4-dichlorophenyl)-N,4-dimethylpyrazole-3-carboxamide

5-(4-cyanophenyl)-N-cyclohexyl-1-(2,4-dichlorophenyl)-N,4-dimethylpyrazole-3-carboxamide (PubChem CID 70646450) has the molecular formula C25H24Cl2N4O and a molecular weight of 467.40 g/mol. Its IUPAC name is 5-(4-cyanophenyl)-N-cyclohexyl-1-(2,4-dichlorophenyl)-N,4-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-cyanophenyl)-N-cyclohexyl-1-(2,4-dichlorophenyl)-N,4-dimethylpyrazole-3-carboxamide
PubChem CID70646450
Molecular FormulaC25H24Cl2N4O
Molecular Weight467.40 g/mol
Exact Mass466.13
IUPAC Name5-(4-cyanophenyl)-N-cyclohexyl-1-(2,4-dichlorophenyl)-N,4-dimethylpyrazole-3-carboxamide
SMILESCc1c(C(=O)N(C)C2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C#N)cc1
InChIInChI=1S/C25H24Cl2N4O/c1-16-23(25(32)30(2)20-6-4-3-5-7-20)29-31(22-13-12-19(26)14-21(22)27)24(16)18-10-8-17(15-28)9-11-18/h8-14,20H,3-7H2,1-2H3
InChIKeyTVHOVBPRNAERQX-UHFFFAOYSA-N
XLogP6.43
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.40
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-cyanophenyl)-N-cyclohexyl-1-(2,4-dichlorophenyl)-N,4-dimethylpyrazole-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

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyanophenyl)-N-cyclohexyl-1-(2,4-dichlorophenyl)-N,4-dimethylpyrazole-3-carboxamide?
The IUPAC name of 5-(4-cyanophenyl)-N-cyclohexyl-1-(2,4-dichlorophenyl)-N,4-dimethylpyrazole-3-carboxamide (CID 70646450) is 5-(4-cyanophenyl)-N-cyclohexyl-1-(2,4-dichlorophenyl)-N,4-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-cyanophenyl)-N-cyclohexyl-1-(2,4-dichlorophenyl)-N,4-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 5-(4-cyanophenyl)-N-cyclohexyl-1-(2,4-dichlorophenyl)-N,4-dimethylpyrazole-3-carboxamide is Cc1c(C(=O)N(C)C2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C#N)cc1.
What is the InChIKey of 5-(4-cyanophenyl)-N-cyclohexyl-1-(2,4-dichlorophenyl)-N,4-dimethylpyrazole-3-carboxamide?
The InChIKey is TVHOVBPRNAERQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N4O/c1-16-23(25(32)30(2)20-6-4-3-5-7-20)29-31(22-13-12-19(26)14-21(22)27)24(16)18-10-8-17(15-28)9-11-18/h8-14,20H,3-7H2,1-2H3.
What are the key properties of 5-(4-cyanophenyl)-N-cyclohexyl-1-(2,4-dichlorophenyl)-N,4-dimethylpyrazole-3-carboxamide?
5-(4-cyanophenyl)-N-cyclohexyl-1-(2,4-dichlorophenyl)-N,4-dimethylpyrazole-3-carboxamide has a molecular weight of 467.40 g/mol, XLogP of 6.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyanophenyl)-N-cyclohexyl-1-(2,4-dichlorophenyl)-N,4-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 70646450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).