2-(4-chlorophenyl)-3-(2,3-dimethoxyphenyl)-5-[2-(2,3-dimethoxyphenyl)ethenyl]-3,4-dihydropyrazole

C27H27ClN2O4 — CID 3089526

IUPAC2-(4-chlorophenyl)-3-(2,3-dimethoxyphenyl)-5-[2-(2,3-dimethoxyphenyl)ethenyl]-3,4-dihydropyrazole
SMILESCOc1cccc(C=CC2=NN(c3ccc(Cl)cc3)C(c3cccc(OC)c3OC)C2)c1OC
InChIInChI=1S/C27H27ClN2O4/c1-31-24-9-5-7-18(26(24)33-3)11-14-20-17-23(22-8-6-10-25(32-2)27(22)34-4)30(29-20)21-15-12-19(28)13-16-21/h5-16,23H,17H2,1-4H3
InChIKeyCMJOMBYCFKWMPI-UHFFFAOYSA-N
MW478.98 g/mol
LogP6.40
Rot. Bonds8

About 2-(4-chlorophenyl)-3-(2,3-dimethoxyphenyl)-5-[2-(2,3-dimethoxyphenyl)ethenyl]-3,4-dihydropyrazole

2-(4-chlorophenyl)-3-(2,3-dimethoxyphenyl)-5-[2-(2,3-dimethoxyphenyl)ethenyl]-3,4-dihydropyrazole (PubChem CID 3089526) has the molecular formula C27H27ClN2O4 and a molecular weight of 478.98 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(2,3-dimethoxyphenyl)-5-[2-(2,3-dimethoxyphenyl)ethenyl]-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(2,3-dimethoxyphenyl)-5-[2-(2,3-dimethoxyphenyl)ethenyl]-3,4-dihydropyrazole
PubChem CID3089526
Molecular FormulaC27H27ClN2O4
Molecular Weight478.98 g/mol
Exact Mass478.17
IUPAC Name2-(4-chlorophenyl)-3-(2,3-dimethoxyphenyl)-5-[2-(2,3-dimethoxyphenyl)ethenyl]-3,4-dihydropyrazole
SMILESCOc1cccc(C=CC2=NN(c3ccc(Cl)cc3)C(c3cccc(OC)c3OC)C2)c1OC
InChIInChI=1S/C27H27ClN2O4/c1-31-24-9-5-7-18(26(24)33-3)11-14-20-17-23(22-8-6-10-25(32-2)27(22)34-4)30(29-20)21-15-12-19(28)13-16-21/h5-16,23H,17H2,1-4H3
InChIKeyCMJOMBYCFKWMPI-UHFFFAOYSA-N
XLogP6.40
TPSA52.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.98
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-chlorophenyl)-3-(2,3-dimethoxyphenyl)-5-[2-(2,3-dimethoxyphenyl)ethenyl]-3,4-dihydropyrazole with MolForge

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Related Compounds

(3R)-3-(2,3-dimethoxyphenyl)-5-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-2-(2-fluorophenyl)-3,4-dihydropyrazole
CID 7154652
2-(2,4-dichlorophenyl)-3-(2-methoxyphenyl)-5-[2-(2-methoxyphenyl)ethenyl]-3,4-dihydropyrazole
CID 2829223
2-(4-chlorophenyl)-3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
CID 3106181
1-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dimethoxybenzene
CID 138660638
2-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethenyl]-3,4-dihydropyrazole
CID 5110205
3-(2-chlorophenyl)-5-[(E)-2-(2-chlorophenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
CID 21297801
(4R)-1-(4-chlorophenyl)-4-(2,3-dimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 7268743
(3S)-2-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
CID 7290384
2-[3-(2,3-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]naphthalen-1-ol
CID 177249178
(3R)-3-(4-chlorophenyl)-5-[(E)-2-(4-chlorophenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
CID 7329476
(4Z)-2-(4-chlorophenyl)-4-[(2,3-dimethoxyphenyl)methylidene]-5-methylpyrazol-3-one
CID 5437735
(3R)-2-(4-chlorophenyl)-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole
CID 7184152

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(2,3-dimethoxyphenyl)-5-[2-(2,3-dimethoxyphenyl)ethenyl]-3,4-dihydropyrazole?
The IUPAC name of 2-(4-chlorophenyl)-3-(2,3-dimethoxyphenyl)-5-[2-(2,3-dimethoxyphenyl)ethenyl]-3,4-dihydropyrazole (CID 3089526) is 2-(4-chlorophenyl)-3-(2,3-dimethoxyphenyl)-5-[2-(2,3-dimethoxyphenyl)ethenyl]-3,4-dihydropyrazole.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(2,3-dimethoxyphenyl)-5-[2-(2,3-dimethoxyphenyl)ethenyl]-3,4-dihydropyrazole?
The canonical SMILES for 2-(4-chlorophenyl)-3-(2,3-dimethoxyphenyl)-5-[2-(2,3-dimethoxyphenyl)ethenyl]-3,4-dihydropyrazole is COc1cccc(C=CC2=NN(c3ccc(Cl)cc3)C(c3cccc(OC)c3OC)C2)c1OC.
What is the InChIKey of 2-(4-chlorophenyl)-3-(2,3-dimethoxyphenyl)-5-[2-(2,3-dimethoxyphenyl)ethenyl]-3,4-dihydropyrazole?
The InChIKey is CMJOMBYCFKWMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN2O4/c1-31-24-9-5-7-18(26(24)33-3)11-14-20-17-23(22-8-6-10-25(32-2)27(22)34-4)30(29-20)21-15-12-19(28)13-16-21/h5-16,23H,17H2,1-4H3.
What are the key properties of 2-(4-chlorophenyl)-3-(2,3-dimethoxyphenyl)-5-[2-(2,3-dimethoxyphenyl)ethenyl]-3,4-dihydropyrazole?
2-(4-chlorophenyl)-3-(2,3-dimethoxyphenyl)-5-[2-(2,3-dimethoxyphenyl)ethenyl]-3,4-dihydropyrazole has a molecular weight of 478.98 g/mol, XLogP of 6.40, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(2,3-dimethoxyphenyl)-5-[2-(2,3-dimethoxyphenyl)ethenyl]-3,4-dihydropyrazole is sourced from PubChem (CID 3089526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).