2-(2,4-dichlorophenyl)-3-(2-methoxyphenyl)-5-[2-(2-methoxyphenyl)ethenyl]-3,4-dihydropyrazole

C25H22Cl2N2O2 — CID 2829223

IUPAC2-(2,4-dichlorophenyl)-3-(2-methoxyphenyl)-5-[2-(2-methoxyphenyl)ethenyl]-3,4-dihydropyrazole
SMILESCOc1ccccc1C=CC1=NN(c2ccc(Cl)cc2Cl)C(c2ccccc2OC)C1
InChIInChI=1S/C25H22Cl2N2O2/c1-30-24-9-5-3-7-17(24)11-13-19-16-23(20-8-4-6-10-25(20)31-2)29(28-19)22-14-12-18(26)15-21(22)27/h3-15,23H,16H2,1-2H3
InChIKeyNEGRSUCJPFFPPQ-UHFFFAOYSA-N
MW453.37 g/mol
LogP7.03
Rot. Bonds6

About 2-(2,4-dichlorophenyl)-3-(2-methoxyphenyl)-5-[2-(2-methoxyphenyl)ethenyl]-3,4-dihydropyrazole

2-(2,4-dichlorophenyl)-3-(2-methoxyphenyl)-5-[2-(2-methoxyphenyl)ethenyl]-3,4-dihydropyrazole (PubChem CID 2829223) has the molecular formula C25H22Cl2N2O2 and a molecular weight of 453.37 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3-(2-methoxyphenyl)-5-[2-(2-methoxyphenyl)ethenyl]-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3-(2-methoxyphenyl)-5-[2-(2-methoxyphenyl)ethenyl]-3,4-dihydropyrazole
PubChem CID2829223
Molecular FormulaC25H22Cl2N2O2
Molecular Weight453.37 g/mol
Exact Mass452.11
IUPAC Name2-(2,4-dichlorophenyl)-3-(2-methoxyphenyl)-5-[2-(2-methoxyphenyl)ethenyl]-3,4-dihydropyrazole
SMILESCOc1ccccc1C=CC1=NN(c2ccc(Cl)cc2Cl)C(c2ccccc2OC)C1
InChIInChI=1S/C25H22Cl2N2O2/c1-30-24-9-5-3-7-17(24)11-13-19-16-23(20-8-4-6-10-25(20)31-2)29(28-19)22-14-12-18(26)15-21(22)27/h3-15,23H,16H2,1-2H3
InChIKeyNEGRSUCJPFFPPQ-UHFFFAOYSA-N
XLogP7.03
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.37
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-3-(2,3-dimethoxyphenyl)-5-[2-(2,3-dimethoxyphenyl)ethenyl]-3,4-dihydropyrazole
CID 3089526
(3R)-3-(2,3-dimethoxyphenyl)-5-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-2-(2-fluorophenyl)-3,4-dihydropyrazole
CID 7154652
(3R)-2-(2,4-dichlorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole
CID 7452261
[2-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82072549
3-(2-chlorophenyl)-5-[(E)-2-(2-chlorophenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
CID 21297801
1-chloro-3-[(E)-2-(2-methoxyphenyl)ethenyl]benzene
CID 139240530
2-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethenyl]-3,4-dihydropyrazole
CID 5110205
(3S)-2-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
CID 7290384
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 3142879
[2-(2,3-dimethylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82072542
2-[(3R)-5-(3-bromophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline
CID 98257611
2-[2-(2,4-dichlorophenyl)ethenyl]-4-[3-(2-methoxyphenyl)prop-2-enylidene]-1,3-oxazol-5-one
CID 5195703

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-3-(2-methoxyphenyl)-5-[2-(2-methoxyphenyl)ethenyl]-3,4-dihydropyrazole?
The IUPAC name of 2-(2,4-dichlorophenyl)-3-(2-methoxyphenyl)-5-[2-(2-methoxyphenyl)ethenyl]-3,4-dihydropyrazole (CID 2829223) is 2-(2,4-dichlorophenyl)-3-(2-methoxyphenyl)-5-[2-(2-methoxyphenyl)ethenyl]-3,4-dihydropyrazole.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3-(2-methoxyphenyl)-5-[2-(2-methoxyphenyl)ethenyl]-3,4-dihydropyrazole?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3-(2-methoxyphenyl)-5-[2-(2-methoxyphenyl)ethenyl]-3,4-dihydropyrazole is COc1ccccc1C=CC1=NN(c2ccc(Cl)cc2Cl)C(c2ccccc2OC)C1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3-(2-methoxyphenyl)-5-[2-(2-methoxyphenyl)ethenyl]-3,4-dihydropyrazole?
The InChIKey is NEGRSUCJPFFPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2N2O2/c1-30-24-9-5-3-7-17(24)11-13-19-16-23(20-8-4-6-10-25(20)31-2)29(28-19)22-14-12-18(26)15-21(22)27/h3-15,23H,16H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)-3-(2-methoxyphenyl)-5-[2-(2-methoxyphenyl)ethenyl]-3,4-dihydropyrazole?
2-(2,4-dichlorophenyl)-3-(2-methoxyphenyl)-5-[2-(2-methoxyphenyl)ethenyl]-3,4-dihydropyrazole has a molecular weight of 453.37 g/mol, XLogP of 7.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-3-(2-methoxyphenyl)-5-[2-(2-methoxyphenyl)ethenyl]-3,4-dihydropyrazole is sourced from PubChem (CID 2829223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).