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

C22H18Cl2N2O — CID 72697919

IUPAC2-(2-chlorophenyl)-3-(3-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
SMILESCOc1ccc(C2=NN(c3ccccc3Cl)C(c3cccc(Cl)c3)C2)cc1
InChIInChI=1S/C22H18Cl2N2O/c1-27-18-11-9-15(10-12-18)20-14-22(16-5-4-6-17(23)13-16)26(25-20)21-8-3-2-7-19(21)24/h2-13,22H,14H2,1H3
InChIKeyXYDGAGBGTVVDEO-UHFFFAOYSA-N
MW397.31 g/mol
LogP6.36
Rot. Bonds4

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

2-(2-chlorophenyl)-3-(3-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole (PubChem CID 72697919) has the molecular formula C22H18Cl2N2O and a molecular weight of 397.31 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(3-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(3-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
PubChem CID72697919
Molecular FormulaC22H18Cl2N2O
Molecular Weight397.31 g/mol
Exact Mass396.08
IUPAC Name2-(2-chlorophenyl)-3-(3-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
SMILESCOc1ccc(C2=NN(c3ccccc3Cl)C(c3cccc(Cl)c3)C2)cc1
InChIInChI=1S/C22H18Cl2N2O/c1-27-18-11-9-15(10-12-18)20-14-22(16-5-4-6-17(23)13-16)26(25-20)21-8-3-2-7-19(21)24/h2-13,22H,14H2,1H3
InChIKeyXYDGAGBGTVVDEO-UHFFFAOYSA-N
XLogP6.36
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.31
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(3-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole?
The IUPAC name of 2-(2-chlorophenyl)-3-(3-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole (CID 72697919) is 2-(2-chlorophenyl)-3-(3-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(3-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole?
The canonical SMILES for 2-(2-chlorophenyl)-3-(3-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole is COc1ccc(C2=NN(c3ccccc3Cl)C(c3cccc(Cl)c3)C2)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-3-(3-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole?
The InChIKey is XYDGAGBGTVVDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O/c1-27-18-11-9-15(10-12-18)20-14-22(16-5-4-6-17(23)13-16)26(25-20)21-8-3-2-7-19(21)24/h2-13,22H,14H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-3-(3-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole?
2-(2-chlorophenyl)-3-(3-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole has a molecular weight of 397.31 g/mol, XLogP of 6.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(3-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 72697919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).