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

C23H18Cl2N2 — CID 21297801

IUPAC3-(2-chlorophenyl)-5-[(E)-2-(2-chlorophenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
SMILESClc1ccccc1/C=C/C1=NN(c2ccccc2)C(c2ccccc2Cl)C1
InChIInChI=1S/C23H18Cl2N2/c24-21-12-6-4-8-17(21)14-15-18-16-23(20-11-5-7-13-22(20)25)27(26-18)19-9-2-1-3-10-19/h1-15,23H,16H2/b15-14+
InChIKeyRGEREJNBGBQLQN-CCEZHUSRSA-N
MW393.32 g/mol
LogP7.01
Rot. Bonds4

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

3-(2-chlorophenyl)-5-[(E)-2-(2-chlorophenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole (PubChem CID 21297801) has the molecular formula C23H18Cl2N2 and a molecular weight of 393.32 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-[(E)-2-(2-chlorophenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-[(E)-2-(2-chlorophenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
PubChem CID21297801
Molecular FormulaC23H18Cl2N2
Molecular Weight393.32 g/mol
Exact Mass392.08
IUPAC Name3-(2-chlorophenyl)-5-[(E)-2-(2-chlorophenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
SMILESClc1ccccc1/C=C/C1=NN(c2ccccc2)C(c2ccccc2Cl)C1
InChIInChI=1S/C23H18Cl2N2/c24-21-12-6-4-8-17(21)14-15-18-16-23(20-11-5-7-13-22(20)25)27(26-18)19-9-2-1-3-10-19/h1-15,23H,16H2/b15-14+
InChIKeyRGEREJNBGBQLQN-CCEZHUSRSA-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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-[(E)-2-(2-chlorophenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of 3-(2-chlorophenyl)-5-[(E)-2-(2-chlorophenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole (CID 21297801) is 3-(2-chlorophenyl)-5-[(E)-2-(2-chlorophenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 3-(2-chlorophenyl)-5-[(E)-2-(2-chlorophenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 3-(2-chlorophenyl)-5-[(E)-2-(2-chlorophenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole is Clc1ccccc1/C=C/C1=NN(c2ccccc2)C(c2ccccc2Cl)C1.
What is the InChIKey of 3-(2-chlorophenyl)-5-[(E)-2-(2-chlorophenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole?
The InChIKey is RGEREJNBGBQLQN-CCEZHUSRSA-N. The full InChI is InChI=1S/C23H18Cl2N2/c24-21-12-6-4-8-17(21)14-15-18-16-23(20-11-5-7-13-22(20)25)27(26-18)19-9-2-1-3-10-19/h1-15,23H,16H2/b15-14+.
What are the key properties of 3-(2-chlorophenyl)-5-[(E)-2-(2-chlorophenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole?
3-(2-chlorophenyl)-5-[(E)-2-(2-chlorophenyl)ethenyl]-2-phenyl-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 3-(2-chlorophenyl)-5-[(E)-2-(2-chlorophenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 21297801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).