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

C21H15BrCl2N2 — CID 3142858

IUPAC2-(3-bromophenyl)-3-(2-chlorophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole
SMILESClc1ccc(C2=NN(c3cccc(Br)c3)C(c3ccccc3Cl)C2)cc1
InChIInChI=1S/C21H15BrCl2N2/c22-15-4-3-5-17(12-15)26-21(18-6-1-2-7-19(18)24)13-20(25-26)14-8-10-16(23)11-9-14/h1-12,21H,13H2
InChIKeyXWDZOFMJCDRAFD-UHFFFAOYSA-N
MW446.18 g/mol
LogP7.11
Rot. Bonds3

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

2-(3-bromophenyl)-3-(2-chlorophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole (PubChem CID 3142858) has the molecular formula C21H15BrCl2N2 and a molecular weight of 446.18 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-(2-chlorophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-(2-chlorophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole
PubChem CID3142858
Molecular FormulaC21H15BrCl2N2
Molecular Weight446.18 g/mol
Exact Mass443.98
IUPAC Name2-(3-bromophenyl)-3-(2-chlorophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole
SMILESClc1ccc(C2=NN(c3cccc(Br)c3)C(c3ccccc3Cl)C2)cc1
InChIInChI=1S/C21H15BrCl2N2/c22-15-4-3-5-17(12-15)26-21(18-6-1-2-7-19(18)24)13-20(25-26)14-8-10-16(23)11-9-14/h1-12,21H,13H2
InChIKeyXWDZOFMJCDRAFD-UHFFFAOYSA-N
XLogP7.11
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.18
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole
CID 7720074
(3R)-5-(4-bromophenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
CID 7277369
3-(2-chlorophenyl)-5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 101339035
3,5-bis(4-bromophenyl)-2-(3-chlorophenyl)-3,4-dihydropyrazole
CID 3703688
3-(4-bromophenyl)-2-(2-chlorophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole
CID 46502754
2-(3-bromophenyl)-5-(4-bromophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole
CID 3093187
2-(4-chlorophenyl)-3-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole
CID 3142841
2,3-bis(4-bromophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole
CID 3142862
5-(4-bromophenyl)-3-(2-chloro-3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 10600488
6-chloro-2-[3-(2-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 3448032
(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7065390
3-(4-bromophenyl)-2-(3-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 3290155

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-(2-chlorophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole?
The IUPAC name of 2-(3-bromophenyl)-3-(2-chlorophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole (CID 3142858) is 2-(3-bromophenyl)-3-(2-chlorophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole.
What is the SMILES notation for 2-(3-bromophenyl)-3-(2-chlorophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole?
The canonical SMILES for 2-(3-bromophenyl)-3-(2-chlorophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole is Clc1ccc(C2=NN(c3cccc(Br)c3)C(c3ccccc3Cl)C2)cc1.
What is the InChIKey of 2-(3-bromophenyl)-3-(2-chlorophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole?
The InChIKey is XWDZOFMJCDRAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrCl2N2/c22-15-4-3-5-17(12-15)26-21(18-6-1-2-7-19(18)24)13-20(25-26)14-8-10-16(23)11-9-14/h1-12,21H,13H2.
What are the key properties of 2-(3-bromophenyl)-3-(2-chlorophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole?
2-(3-bromophenyl)-3-(2-chlorophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole has a molecular weight of 446.18 g/mol, XLogP of 7.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-(2-chlorophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 3142858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).