(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

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Related Compounds

(3R)-3-(4-chlorophenyl)-5-[(E)-2-(4-chlorophenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
CID 7329476
(3S)-2-(3-fluorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole
CID 7188125
2-(2,4-dichlorophenyl)-3-(2-methoxyphenyl)-5-[2-(2-methoxyphenyl)ethenyl]-3,4-dihydropyrazole
CID 2829223
3-phenyl-5-(2-phenylethenyl)-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole
CID 3688363
[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methylazanium
CID 140569965
2-phenyl-5-[4-[(E)-2-[4-[(3S)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]phenyl]ethenyl]phenyl]-1,3,4-oxadiazole
CID 98388512
(3S)-3-(4-methoxyphenyl)-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
CID 92909932
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-methyl-3,4-dihydropyrazole-5-carboxamide
CID 143394981
3-(4-chlorophenyl)-N-cyclopropyl-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide
CID 58326291
N-[2-(2,4-dichlorophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]-N-methyl-N'-morpholin-4-ylsulfonylmethanimidamide
CID 24758999
2-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethenyl]-3,4-dihydropyrazole
CID 5110205
3-(4-butylphenyl)-5-[2-(4-butylphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
CID 54544845

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).