N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(4-methylphenyl)pyrazole-4-carboxamide

C23H23Cl2N3O — CID 25186509

IUPACN-cyclohexyl-1-(2,4-dichlorophenyl)-5-(4-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccc(-c2c(C(=O)NC3CCCCC3)cnn2-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C23H23Cl2N3O/c1-15-7-9-16(10-8-15)22-19(23(29)27-18-5-3-2-4-6-18)14-26-28(22)21-12-11-17(24)13-20(21)25/h7-14,18H,2-6H2,1H3,(H,27,29)
InChIKeyMMWRZZIWYYZCBC-UHFFFAOYSA-N
MW428.36 g/mol
LogP6.22
Rot. Bonds4

About N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(4-methylphenyl)pyrazole-4-carboxamide

N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(4-methylphenyl)pyrazole-4-carboxamide (PubChem CID 25186509) has the molecular formula C23H23Cl2N3O and a molecular weight of 428.36 g/mol. Its IUPAC name is N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(4-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(2,4-dichlorophenyl)-5-(4-methylphenyl)pyrazole-4-carboxamide
PubChem CID25186509
Molecular FormulaC23H23Cl2N3O
Molecular Weight428.36 g/mol
Exact Mass427.12
IUPAC NameN-cyclohexyl-1-(2,4-dichlorophenyl)-5-(4-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccc(-c2c(C(=O)NC3CCCCC3)cnn2-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C23H23Cl2N3O/c1-15-7-9-16(10-8-15)22-19(23(29)27-18-5-3-2-4-6-18)14-26-28(22)21-12-11-17(24)13-20(21)25/h7-14,18H,2-6H2,1H3,(H,27,29)
InChIKeyMMWRZZIWYYZCBC-UHFFFAOYSA-N
XLogP6.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.36
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chlorophenyl)-N-cyclopentyl-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 23652123
5-chloro-N-cyclohexyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 58433770
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)pyrazole-4-carboxamide
CID 25185393
5-chloro-N-cyclohexyl-2-methylbenzamide
CID 83407385
1-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-N-morpholin-4-ylpyrazole-4-carboxamide
CID 25185965
4-chloro-N-cycloheptyl-2-fluorobenzamide
CID 26002204
N-[(3R)-1-acetylpiperidin-3-yl]-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 57341511
N-cyclohexyl-2,5-dimethylbenzamide
CID 925443
N-cyclohexyl-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20918586
5-chloro-N-cycloheptyl-2-fluorobenzamide
CID 9082182
N-(3-aminocyclohexyl)-1-(2,4-dichlorophenyl)-4-methyl-5-phenylpyrazole-3-carboxamide
CID 173139707
(3R)-3-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]-N-ethylpiperidine-1-carboxamide
CID 57341513

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(4-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(4-methylphenyl)pyrazole-4-carboxamide (CID 25186509) is N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(4-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(4-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(4-methylphenyl)pyrazole-4-carboxamide is Cc1ccc(-c2c(C(=O)NC3CCCCC3)cnn2-c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(4-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is MMWRZZIWYYZCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N3O/c1-15-7-9-16(10-8-15)22-19(23(29)27-18-5-3-2-4-6-18)14-26-28(22)21-12-11-17(24)13-20(21)25/h7-14,18H,2-6H2,1H3,(H,27,29).
What are the key properties of N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(4-methylphenyl)pyrazole-4-carboxamide?
N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(4-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 428.36 g/mol, XLogP of 6.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(4-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 25186509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).