chlorobenzene;(4S)-N-cycloheptyl-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide

C24H28Cl3N3O — CID 143395358

IUPACchlorobenzene;(4S)-N-cycloheptyl-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide
SMILESC[C@H]1CN(c2ccc(Cl)cc2Cl)N=C1C(=O)NC1CCCCCC1.Clc1ccccc1
InChIInChI=1S/C18H23Cl2N3O.C6H5Cl/c1-12-11-23(16-9-8-13(19)10-15(16)20)22-17(12)18(24)21-14-6-4-2-3-5-7-14;7-6-4-2-1-3-5-6/h8-10,12,14H,2-7,11H2,1H3,(H,21,24);1-5H/t12-;/m0./s1
InChIKeyRIIWRPDHAUWLKY-YDALLXLXSA-N
MW480.87 g/mol
LogP6.98
Rot. Bonds3

About chlorobenzene;(4S)-N-cycloheptyl-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide

chlorobenzene;(4S)-N-cycloheptyl-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 143395358) has the molecular formula C24H28Cl3N3O and a molecular weight of 480.87 g/mol. Its IUPAC name is chlorobenzene;(4S)-N-cycloheptyl-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Namechlorobenzene;(4S)-N-cycloheptyl-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide
PubChem CID143395358
Molecular FormulaC24H28Cl3N3O
Molecular Weight480.87 g/mol
Exact Mass479.13
IUPAC Namechlorobenzene;(4S)-N-cycloheptyl-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide
SMILESC[C@H]1CN(c2ccc(Cl)cc2Cl)N=C1C(=O)NC1CCCCCC1.Clc1ccccc1
InChIInChI=1S/C18H23Cl2N3O.C6H5Cl/c1-12-11-23(16-9-8-13(19)10-15(16)20)22-17(12)18(24)21-14-6-4-2-3-5-7-14;7-6-4-2-1-3-5-6/h8-10,12,14H,2-7,11H2,1H3,(H,21,24);1-5H/t12-;/m0./s1
InChIKeyRIIWRPDHAUWLKY-YDALLXLXSA-N
XLogP6.98
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.87
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

chlorobenzene;N-cyclohexyl-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide;ethane
CID 143395360
(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
4-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
CID 23653997
5-(4-chlorophenyl)-N-cyclopentyl-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 23652123
(3S,4R)-N-cycloheptyl-2-(2,4-dichlorophenyl)-3-(4-methoxycyclohexa-2,4-dien-1-yl)-4-methyl-3,4-dihydropyrazole-5-carboxamide
CID 67592131
N-(4-tert-butylcyclohexyl)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide
CID 69111859
5-N-cyclopentyl-2-(2,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide
CID 44545342
N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(4-methylphenyl)pyrazole-4-carboxamide
CID 25186509
5-chloro-N-cyclohexyl-2-methylbenzamide
CID 83407385
5-N-cyclopentyl-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide
CID 44545224
N-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide
CID 3299631

Frequently Asked Questions

What is the IUPAC name of chlorobenzene;(4S)-N-cycloheptyl-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of chlorobenzene;(4S)-N-cycloheptyl-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide (CID 143395358) is chlorobenzene;(4S)-N-cycloheptyl-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for chlorobenzene;(4S)-N-cycloheptyl-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for chlorobenzene;(4S)-N-cycloheptyl-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide is C[C@H]1CN(c2ccc(Cl)cc2Cl)N=C1C(=O)NC1CCCCCC1.Clc1ccccc1.
What is the InChIKey of chlorobenzene;(4S)-N-cycloheptyl-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is RIIWRPDHAUWLKY-YDALLXLXSA-N. The full InChI is InChI=1S/C18H23Cl2N3O.C6H5Cl/c1-12-11-23(16-9-8-13(19)10-15(16)20)22-17(12)18(24)21-14-6-4-2-3-5-7-14;7-6-4-2-1-3-5-6/h8-10,12,14H,2-7,11H2,1H3,(H,21,24);1-5H/t12-;/m0./s1.
What are the key properties of chlorobenzene;(4S)-N-cycloheptyl-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide?
chlorobenzene;(4S)-N-cycloheptyl-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 480.87 g/mol, XLogP of 6.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;(4S)-N-cycloheptyl-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 143395358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).