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

C23H23Cl2N3O2 — CID 25186510

IUPACN-cyclohexyl-1-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-c2c(C(=O)NC3CCCCC3)cnn2-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C23H23Cl2N3O2/c1-30-18-10-7-15(8-11-18)22-19(23(29)27-17-5-3-2-4-6-17)14-26-28(22)21-12-9-16(24)13-20(21)25/h7-14,17H,2-6H2,1H3,(H,27,29)
InChIKeyBSZUTDBDEMBHNY-UHFFFAOYSA-N
MW444.36 g/mol
LogP5.92
Rot. Bonds5

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

N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)pyrazole-4-carboxamide (PubChem CID 25186510) has the molecular formula C23H23Cl2N3O2 and a molecular weight of 444.36 g/mol. Its IUPAC name is N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)pyrazole-4-carboxamide
PubChem CID25186510
Molecular FormulaC23H23Cl2N3O2
Molecular Weight444.36 g/mol
Exact Mass443.12
IUPAC NameN-cyclohexyl-1-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-c2c(C(=O)NC3CCCCC3)cnn2-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C23H23Cl2N3O2/c1-30-18-10-7-15(8-11-18)22-19(23(29)27-17-5-3-2-4-6-17)14-26-28(22)21-12-9-16(24)13-20(21)25/h7-14,17H,2-6H2,1H3,(H,27,29)
InChIKeyBSZUTDBDEMBHNY-UHFFFAOYSA-N
XLogP5.92
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.36
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(piperidin-1-yl)-5-(4-methoxyphenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide
CID 11037861
3-(4-methoxyphenyl)-N,N-dimethyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 752166
3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1217387
1-(4-Chlorophenyl)-N-(2-{[(4-ethoxyphenyl)carbonyl]amino}ethyl)-3-(trifluoromethyl)-1Hpyrazole-4-carboxamide
CID 46884918
N-(azepan-1-yl)-1-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-4-methylpyrazole-3-carboxamide
CID 11027128
3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-4-carboxamide
CID 24250013
N-[2-(4-methoxyanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide
CID 25162147
N-[2-[2-(2-aminoethyl)pyrrolidin-1-yl]ethyl]-1-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-4-methylpyrazole-3-carboxamide
CID 44372607
N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 70687976
3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 70694213
N-[(4-chlorophenyl)carbamothioyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 72707855
[4-[3-carbamoyl-1-(4-chlorophenyl)pyrazol-5-yl]phenyl] N-cyclohexylcarbamate
CID 118736188

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)pyrazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)pyrazole-4-carboxamide (CID 25186510) is N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)pyrazole-4-carboxamide is COc1ccc(-c2c(C(=O)NC3CCCCC3)cnn2-c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)pyrazole-4-carboxamide?
The InChIKey is BSZUTDBDEMBHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N3O2/c1-30-18-10-7-15(8-11-18)22-19(23(29)27-17-5-3-2-4-6-17)14-26-28(22)21-12-9-16(24)13-20(21)25/h7-14,17H,2-6H2,1H3,(H,27,29).
What are the key properties of N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)pyrazole-4-carboxamide?
N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)pyrazole-4-carboxamide has a molecular weight of 444.36 g/mol, XLogP of 5.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 25186510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).