N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[4-(3,4-dichlorophenyl)phenyl]acetamide

C24H25Cl2N3O — CID 155569191

IUPACN-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[4-(3,4-dichlorophenyl)phenyl]acetamide
SMILESCc1cc(NC(=O)Cc2ccc(-c3ccc(Cl)c(Cl)c3)cc2)n(C2CCCCC2)n1
InChIInChI=1S/C24H25Cl2N3O/c1-16-13-23(29(28-16)20-5-3-2-4-6-20)27-24(30)14-17-7-9-18(10-8-17)19-11-12-21(25)22(26)15-19/h7-13,15,20H,2-6,14H2,1H3,(H,27,30)
InChIKeyQSAGPGILKUZXIU-UHFFFAOYSA-N
MW442.39 g/mol
LogP6.85
Rot. Bonds5

About N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[4-(3,4-dichlorophenyl)phenyl]acetamide

N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[4-(3,4-dichlorophenyl)phenyl]acetamide (PubChem CID 155569191) has the molecular formula C24H25Cl2N3O and a molecular weight of 442.39 g/mol. Its IUPAC name is N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[4-(3,4-dichlorophenyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[4-(3,4-dichlorophenyl)phenyl]acetamide
PubChem CID155569191
Molecular FormulaC24H25Cl2N3O
Molecular Weight442.39 g/mol
Exact Mass441.14
IUPAC NameN-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[4-(3,4-dichlorophenyl)phenyl]acetamide
SMILESCc1cc(NC(=O)Cc2ccc(-c3ccc(Cl)c(Cl)c3)cc2)n(C2CCCCC2)n1
InChIInChI=1S/C24H25Cl2N3O/c1-16-13-23(29(28-16)20-5-3-2-4-6-20)27-24(30)14-17-7-9-18(10-8-17)19-11-12-21(25)22(26)15-19/h7-13,15,20H,2-6,14H2,1H3,(H,27,30)
InChIKeyQSAGPGILKUZXIU-UHFFFAOYSA-N
XLogP6.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.39
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-fluorophenyl)-N-(1-cyclohexyl-3-methyl-1H-pyrazol-5-yl)acetamide
CID 146014436
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(4-chlorophenyl)acetamide
CID 11046825
7-(3,4-dichlorophenyl)-5-methyl-N-(2-phenylethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135433132
CID 135443450
CID 135443450
[7-(3,4-Dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(4-phenylpiperazin-1-yl)methanone
CID 135450069
[7-(3,4-Dichlorophenyl)-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 135528474
CID 135532473
CID 135532473
CID 135532763
CID 135532763
CID 135532777
CID 135532777
[7-(3,4-Dichlorophenyl)-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(4-phenylpiperazin-1-yl)methanone
CID 135532890
[7-(3,4-Dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(4-phenylpiperidin-1-yl)methanone
CID 135547867
[7-(3,4-Dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 135547981

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[4-(3,4-dichlorophenyl)phenyl]acetamide?
The IUPAC name of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[4-(3,4-dichlorophenyl)phenyl]acetamide (CID 155569191) is N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[4-(3,4-dichlorophenyl)phenyl]acetamide.
What is the SMILES notation for N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[4-(3,4-dichlorophenyl)phenyl]acetamide?
The canonical SMILES for N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[4-(3,4-dichlorophenyl)phenyl]acetamide is Cc1cc(NC(=O)Cc2ccc(-c3ccc(Cl)c(Cl)c3)cc2)n(C2CCCCC2)n1.
What is the InChIKey of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[4-(3,4-dichlorophenyl)phenyl]acetamide?
The InChIKey is QSAGPGILKUZXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N3O/c1-16-13-23(29(28-16)20-5-3-2-4-6-20)27-24(30)14-17-7-9-18(10-8-17)19-11-12-21(25)22(26)15-19/h7-13,15,20H,2-6,14H2,1H3,(H,27,30).
What are the key properties of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[4-(3,4-dichlorophenyl)phenyl]acetamide?
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[4-(3,4-dichlorophenyl)phenyl]acetamide has a molecular weight of 442.39 g/mol, XLogP of 6.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[4-(3,4-dichlorophenyl)phenyl]acetamide is sourced from PubChem (CID 155569191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).