5-(4-bromophenyl)-3-(2-chloro-3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole

C23H20BrClN2O2 — CID 10600488

IUPAC5-(4-bromophenyl)-3-(2-chloro-3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCOc1ccc(C2CC(c3ccc(Br)cc3)=NN2c2ccccc2)c(Cl)c1OC
InChIInChI=1S/C23H20BrClN2O2/c1-28-21-13-12-18(22(25)23(21)29-2)20-14-19(15-8-10-16(24)11-9-15)26-27(20)17-6-4-3-5-7-17/h3-13,20H,14H2,1-2H3
InChIKeyWQCNUYLOSRFKBF-UHFFFAOYSA-N
MW471.78 g/mol
LogP6.48
Rot. Bonds5

About 5-(4-bromophenyl)-3-(2-chloro-3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole

5-(4-bromophenyl)-3-(2-chloro-3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole (PubChem CID 10600488) has the molecular formula C23H20BrClN2O2 and a molecular weight of 471.78 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-(2-chloro-3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-(2-chloro-3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole
PubChem CID10600488
Molecular FormulaC23H20BrClN2O2
Molecular Weight471.78 g/mol
Exact Mass470.04
IUPAC Name5-(4-bromophenyl)-3-(2-chloro-3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCOc1ccc(C2CC(c3ccc(Br)cc3)=NN2c2ccccc2)c(Cl)c1OC
InChIInChI=1S/C23H20BrClN2O2/c1-28-21-13-12-18(22(25)23(21)29-2)20-14-19(15-8-10-16(24)11-9-15)26-27(20)17-6-4-3-5-7-17/h3-13,20H,14H2,1-2H3
InChIKeyWQCNUYLOSRFKBF-UHFFFAOYSA-N
XLogP6.48
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.78
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-5-(4-bromophenyl)-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7411218
5-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-2-sulfanyl-3,4-dihydropyrazole
CID 139528327
3-(2-methoxyphenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 3714148
6,7-dimethoxy-2-(4-phenylphenyl)-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one
CID 2864072
(3R)-5-(4-bromophenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
CID 7277369
(3R)-5-(4-bromophenyl)-2-phenyl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole
CID 7290397
5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 2883031
(3S)-2,5-diphenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole
CID 7195893
(3S)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrazole
CID 7104195
3-(4-bromophenyl)-2,5-diphenyl-3,4-dihydropyrazole
CID 3089890
3-(4-bromophenyl)-2-(3-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 3290155
2-(3-bromophenyl)-3-(2-chlorophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole
CID 3142858

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3-(2-chloro-3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of 5-(4-bromophenyl)-3-(2-chloro-3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole (CID 10600488) is 5-(4-bromophenyl)-3-(2-chloro-3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 5-(4-bromophenyl)-3-(2-chloro-3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 5-(4-bromophenyl)-3-(2-chloro-3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole is COc1ccc(C2CC(c3ccc(Br)cc3)=NN2c2ccccc2)c(Cl)c1OC.
What is the InChIKey of 5-(4-bromophenyl)-3-(2-chloro-3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
The InChIKey is WQCNUYLOSRFKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrClN2O2/c1-28-21-13-12-18(22(25)23(21)29-2)20-14-19(15-8-10-16(24)11-9-15)26-27(20)17-6-4-3-5-7-17/h3-13,20H,14H2,1-2H3.
What are the key properties of 5-(4-bromophenyl)-3-(2-chloro-3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
5-(4-bromophenyl)-3-(2-chloro-3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole has a molecular weight of 471.78 g/mol, XLogP of 6.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-(2-chloro-3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 10600488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).