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

C24H22Cl3N3O2 — CID 24880775

IUPAC5-(4-chlorophenyl)-N-(cyclohexanecarbonyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NC(=O)C2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C24H22Cl3N3O2/c1-14-21(24(32)28-23(31)16-5-3-2-4-6-16)29-30(20-12-11-18(26)13-19(20)27)22(14)15-7-9-17(25)10-8-15/h7-13,16H,2-6H2,1H3,(H,28,31,32)
InChIKeyKZPLHBOSKMQZGZ-UHFFFAOYSA-N
MW490.82 g/mol
LogP6.64
Rot. Bonds4

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

5-(4-chlorophenyl)-N-(cyclohexanecarbonyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide (PubChem CID 24880775) has the molecular formula C24H22Cl3N3O2 and a molecular weight of 490.82 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(cyclohexanecarbonyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(cyclohexanecarbonyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
PubChem CID24880775
Molecular FormulaC24H22Cl3N3O2
Molecular Weight490.82 g/mol
Exact Mass489.08
IUPAC Name5-(4-chlorophenyl)-N-(cyclohexanecarbonyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NC(=O)C2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C24H22Cl3N3O2/c1-14-21(24(32)28-23(31)16-5-3-2-4-6-16)29-30(20-12-11-18(26)13-19(20)27)22(14)15-7-9-17(25)10-8-15/h7-13,16H,2-6H2,1H3,(H,28,31,32)
InChIKeyKZPLHBOSKMQZGZ-UHFFFAOYSA-N
XLogP6.64
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.82
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

Rimonabant
CID 104850
N-(piperidin-1-yl)-1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-1H-pyrazole-3-carboxamide
CID 2125
5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-Pyrazole-3-carboxamide
CID 66844170
5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-n-pentyl-1H-pyrazole-3-carboxamide
CID 9868408
1-[5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-2-cyclohexylethanone
CID 24881103
4-(2-amino-2-iminoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 25027058
Rimonabant Hydrochloride
CID 104849
2-(2-Chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-difluoropropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 15603837
2-(2-Chlorophenyl)-3-(4-chlorophenyl)-6-propan-2-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 21868807
1-(2,4-Dichloro-phenyl)-4-methyl-5-(4-pentyl-phenyl)-1H-pyrazole-3-carboxylic acid piperidin-1-ylamide
CID 10141695
2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2,2-trifluoroethyl)-2H-pyrazolo[3,4-c]pyridin-7(6H)-one
CID 11407971
1-{[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazol-3-yl]carbonyl}-4-phenylpiperidine-4-carboxamide
CID 57342713

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(cyclohexanecarbonyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(cyclohexanecarbonyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide (CID 24880775) is 5-(4-chlorophenyl)-N-(cyclohexanecarbonyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(cyclohexanecarbonyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(cyclohexanecarbonyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide is Cc1c(C(=O)NC(=O)C2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(cyclohexanecarbonyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide?
The InChIKey is KZPLHBOSKMQZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl3N3O2/c1-14-21(24(32)28-23(31)16-5-3-2-4-6-16)29-30(20-12-11-18(26)13-19(20)27)22(14)15-7-9-17(25)10-8-15/h7-13,16H,2-6H2,1H3,(H,28,31,32).
What are the key properties of 5-(4-chlorophenyl)-N-(cyclohexanecarbonyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide?
5-(4-chlorophenyl)-N-(cyclohexanecarbonyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide has a molecular weight of 490.82 g/mol, XLogP of 6.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(cyclohexanecarbonyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide is sourced from PubChem (CID 24880775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).