(3R)-3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazole

C22H17Cl3N2O — CID 26464811

IUPAC(3R)-3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazole
SMILESCOc1ccccc1C1=NN(c2ccc(Cl)c(Cl)c2)[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C22H17Cl3N2O/c1-28-22-5-3-2-4-17(22)20-13-21(14-6-8-15(23)9-7-14)27(26-20)16-10-11-18(24)19(25)12-16/h2-12,21H,13H2,1H3/t21-/m1/s1
InChIKeyZKLQWDWUKUGDOL-OAQYLSRUSA-N
MW431.75 g/mol
LogP7.01
Rot. Bonds4

About (3R)-3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazole

(3R)-3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazole (PubChem CID 26464811) has the molecular formula C22H17Cl3N2O and a molecular weight of 431.75 g/mol. Its IUPAC name is (3R)-3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3R)-3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazole
PubChem CID26464811
Molecular FormulaC22H17Cl3N2O
Molecular Weight431.75 g/mol
Exact Mass430.04
IUPAC Name(3R)-3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazole
SMILESCOc1ccccc1C1=NN(c2ccc(Cl)c(Cl)c2)[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C22H17Cl3N2O/c1-28-22-5-3-2-4-17(22)20-13-21(14-6-8-15(23)9-7-14)27(26-20)16-10-11-18(24)19(25)12-16/h2-12,21H,13H2,1H3/t21-/m1/s1
InChIKeyZKLQWDWUKUGDOL-OAQYLSRUSA-N
XLogP7.01
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.75
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazole with MolForge

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Related Compounds

5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 3142864
2-(3-chlorophenyl)-5-(2-methoxyphenyl)-3-(4-nitrophenyl)-3,4-dihydropyrazole
CID 118095334
3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazole
CID 3091732
(3S)-2-(3,4-dichlorophenyl)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazole
CID 26723226
(3R)-2-(4-chlorophenyl)-5-(2-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7453212
5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 46185758
(3R)-2-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7482196
2-(3-chlorophenyl)-3-(2,3-difluoro-4-methoxyphenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazole
CID 118095312
5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 2883031
(3S)-3,5-bis(4-chlorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7277243
3,5-bis(4-chlorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 46502755
(3S)-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7453358

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazole?
The IUPAC name of (3R)-3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazole (CID 26464811) is (3R)-3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazole.
What is the SMILES notation for (3R)-3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazole?
The canonical SMILES for (3R)-3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazole is COc1ccccc1C1=NN(c2ccc(Cl)c(Cl)c2)[C@@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of (3R)-3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazole?
The InChIKey is ZKLQWDWUKUGDOL-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H17Cl3N2O/c1-28-22-5-3-2-4-17(22)20-13-21(14-6-8-15(23)9-7-14)27(26-20)16-10-11-18(24)19(25)12-16/h2-12,21H,13H2,1H3/t21-/m1/s1.
What are the key properties of (3R)-3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazole?
(3R)-3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazole has a molecular weight of 431.75 g/mol, XLogP of 7.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 26464811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).