chlorobenzene;N-cyclohexyl-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide;ethane

C24H30Cl3N3O — CID 143395360

IUPACchlorobenzene;N-cyclohexyl-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide;ethane
SMILESCC.Clc1ccccc1.O=C(NC1CCCCC1)C1=NN(c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C16H19Cl2N3O.C6H5Cl.C2H6/c17-11-6-7-15(13(18)10-11)21-9-8-14(20-21)16(22)19-12-4-2-1-3-5-12;7-6-4-2-1-3-5-6;1-2/h6-7,10,12H,1-5,8-9H2,(H,19,22);1-5H;1-2H3
InChIKeyWZVXZKZWULAZSB-UHFFFAOYSA-N
MW482.88 g/mol
LogP7.37
Rot. Bonds3

About chlorobenzene;N-cyclohexyl-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide;ethane

chlorobenzene;N-cyclohexyl-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide;ethane (PubChem CID 143395360) has the molecular formula C24H30Cl3N3O and a molecular weight of 482.88 g/mol. Its IUPAC name is chlorobenzene;N-cyclohexyl-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide;ethane.

Molecular Properties

Compound Namechlorobenzene;N-cyclohexyl-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide;ethane
PubChem CID143395360
Molecular FormulaC24H30Cl3N3O
Molecular Weight482.88 g/mol
Exact Mass481.15
IUPAC Namechlorobenzene;N-cyclohexyl-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide;ethane
SMILESCC.Clc1ccccc1.O=C(NC1CCCCC1)C1=NN(c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C16H19Cl2N3O.C6H5Cl.C2H6/c17-11-6-7-15(13(18)10-11)21-9-8-14(20-21)16(22)19-12-4-2-1-3-5-12;7-6-4-2-1-3-5-6;1-2/h6-7,10,12H,1-5,8-9H2,(H,19,22);1-5H;1-2H3
InChIKeyWZVXZKZWULAZSB-UHFFFAOYSA-N
XLogP7.37
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.88
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

chlorobenzene;(4S)-N-cycloheptyl-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide
CID 143395358
2-(2,4-dichlorophenyl)-N-(2-methylpiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide
CID 143932609
N-(4-chloro-2-piperidin-1-ylphenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide
CID 143395212
2-(2,4-dichlorophenyl)-N'-pentyl-3,4-dihydropyrazole-5-carbohydrazide
CID 143395196
5-(4-chlorophenyl)-N-cyclopentyl-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 23652123
3-(4-chlorophenyl)-N-cyclopropyl-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide
CID 58326291
1-(4-chlorophenyl)-N-cyclopentyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 941577
(3R,4R)-N-cyclohexyl-2-(2,4-dichlorophenyl)-3-(4-hydroxyphenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide
CID 143395361
3-(4-bromophenyl)-N-cycloheptyl-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide
CID 57452986
N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(4-methylphenyl)pyrazole-4-carboxamide
CID 25186509
5-chloro-N-cyclohexyl-2-methylbenzamide
CID 83407385
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-methylcyclohexyl)-3,4-dihydropyrazole-5-carboxamide
CID 58326386

Frequently Asked Questions

What is the IUPAC name of chlorobenzene;N-cyclohexyl-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide;ethane?
The IUPAC name of chlorobenzene;N-cyclohexyl-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide;ethane (CID 143395360) is chlorobenzene;N-cyclohexyl-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide;ethane.
What is the SMILES notation for chlorobenzene;N-cyclohexyl-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide;ethane?
The canonical SMILES for chlorobenzene;N-cyclohexyl-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide;ethane is CC.Clc1ccccc1.O=C(NC1CCCCC1)C1=NN(c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of chlorobenzene;N-cyclohexyl-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide;ethane?
The InChIKey is WZVXZKZWULAZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O.C6H5Cl.C2H6/c17-11-6-7-15(13(18)10-11)21-9-8-14(20-21)16(22)19-12-4-2-1-3-5-12;7-6-4-2-1-3-5-6;1-2/h6-7,10,12H,1-5,8-9H2,(H,19,22);1-5H;1-2H3.
What are the key properties of chlorobenzene;N-cyclohexyl-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide;ethane?
chlorobenzene;N-cyclohexyl-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide;ethane has a molecular weight of 482.88 g/mol, XLogP of 7.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;N-cyclohexyl-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide;ethane is sourced from PubChem (CID 143395360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).