(3R)-2-(2,4-dichlorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole

C23H18Cl2N2 — CID 7452261

IUPAC(3R)-2-(2,4-dichlorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole
SMILESClc1ccc(N2N=C(/C=C/c3ccccc3)C[C@@H]2c2ccccc2)c(Cl)c1
InChIInChI=1S/C23H18Cl2N2/c24-19-12-14-22(21(25)15-19)27-23(18-9-5-2-6-10-18)16-20(26-27)13-11-17-7-3-1-4-8-17/h1-15,23H,16H2/b13-11+/t23-/m1/s1
InChIKeyKNAUFGOSSYZPCH-ABSORMQESA-N
MW393.32 g/mol
LogP7.01
Rot. Bonds4

About (3R)-2-(2,4-dichlorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole

(3R)-2-(2,4-dichlorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole (PubChem CID 7452261) has the molecular formula C23H18Cl2N2 and a molecular weight of 393.32 g/mol. Its IUPAC name is (3R)-2-(2,4-dichlorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3R)-2-(2,4-dichlorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole
PubChem CID7452261
Molecular FormulaC23H18Cl2N2
Molecular Weight393.32 g/mol
Exact Mass392.08
IUPAC Name(3R)-2-(2,4-dichlorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole
SMILESClc1ccc(N2N=C(/C=C/c3ccccc3)C[C@@H]2c2ccccc2)c(Cl)c1
InChIInChI=1S/C23H18Cl2N2/c24-19-12-14-22(21(25)15-19)27-23(18-9-5-2-6-10-18)16-20(26-27)13-11-17-7-3-1-4-8-17/h1-15,23H,16H2/b13-11+/t23-/m1/s1
InChIKeyKNAUFGOSSYZPCH-ABSORMQESA-N
XLogP7.01
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.32
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R)-2-(2,4-dichlorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-2-(2,4-dichlorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole?
The IUPAC name of (3R)-2-(2,4-dichlorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole (CID 7452261) is (3R)-2-(2,4-dichlorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole.
What is the SMILES notation for (3R)-2-(2,4-dichlorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole?
The canonical SMILES for (3R)-2-(2,4-dichlorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole is Clc1ccc(N2N=C(/C=C/c3ccccc3)C[C@@H]2c2ccccc2)c(Cl)c1.
What is the InChIKey of (3R)-2-(2,4-dichlorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole?
The InChIKey is KNAUFGOSSYZPCH-ABSORMQESA-N. The full InChI is InChI=1S/C23H18Cl2N2/c24-19-12-14-22(21(25)15-19)27-23(18-9-5-2-6-10-18)16-20(26-27)13-11-17-7-3-1-4-8-17/h1-15,23H,16H2/b13-11+/t23-/m1/s1.
What are the key properties of (3R)-2-(2,4-dichlorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole?
(3R)-2-(2,4-dichlorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole has a molecular weight of 393.32 g/mol, XLogP of 7.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-(2,4-dichlorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole is sourced from PubChem (CID 7452261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).