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

C21H15Br2ClN2 — CID 3142862

IUPAC2,3-bis(4-bromophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole
SMILESClc1ccc(C2=NN(c3ccc(Br)cc3)C(c3ccc(Br)cc3)C2)cc1
InChIInChI=1S/C21H15Br2ClN2/c22-16-5-1-15(2-6-16)21-13-20(14-3-9-18(24)10-4-14)25-26(21)19-11-7-17(23)8-12-19/h1-12,21H,13H2
InChIKeyNIVJQHBEZLAEAY-UHFFFAOYSA-N
MW490.63 g/mol
LogP7.22
Rot. Bonds3

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

2,3-bis(4-bromophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole (PubChem CID 3142862) has the molecular formula C21H15Br2ClN2 and a molecular weight of 490.63 g/mol. Its IUPAC name is 2,3-bis(4-bromophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name2,3-bis(4-bromophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole
PubChem CID3142862
Molecular FormulaC21H15Br2ClN2
Molecular Weight490.63 g/mol
Exact Mass487.93
IUPAC Name2,3-bis(4-bromophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole
SMILESClc1ccc(C2=NN(c3ccc(Br)cc3)C(c3ccc(Br)cc3)C2)cc1
InChIInChI=1S/C21H15Br2ClN2/c22-16-5-1-15(2-6-16)21-13-20(14-3-9-18(24)10-4-14)25-26(21)19-11-7-17(23)8-12-19/h1-12,21H,13H2
InChIKeyNIVJQHBEZLAEAY-UHFFFAOYSA-N
XLogP7.22
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.63
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole
CID 3144936
(3R)-5-(4-bromophenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
CID 7277369
3-(4-bromophenyl)-2-(2-chlorophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole
CID 46502754
3,5-bis(4-bromophenyl)-2-(3-chlorophenyl)-3,4-dihydropyrazole
CID 3703688
2-[3-(4-bromophenyl)-2-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]phenol
CID 136732265
(3R)-2-(4-bromophenyl)-3,5-diphenyl-3,4-dihydropyrazole
CID 7071800
3-(4-bromophenyl)-2,5-diphenyl-3,4-dihydropyrazole
CID 3089890
3,5-bis(4-chlorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 46502755
(3S)-3,5-bis(4-chlorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7277243
(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7065390
(3R)-5-(4-bromophenyl)-2-phenyl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole
CID 7290397
3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazole
CID 3091732

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-bromophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole?
The IUPAC name of 2,3-bis(4-bromophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole (CID 3142862) is 2,3-bis(4-bromophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole.
What is the SMILES notation for 2,3-bis(4-bromophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole?
The canonical SMILES for 2,3-bis(4-bromophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole is Clc1ccc(C2=NN(c3ccc(Br)cc3)C(c3ccc(Br)cc3)C2)cc1.
What is the InChIKey of 2,3-bis(4-bromophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole?
The InChIKey is NIVJQHBEZLAEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Br2ClN2/c22-16-5-1-15(2-6-16)21-13-20(14-3-9-18(24)10-4-14)25-26(21)19-11-7-17(23)8-12-19/h1-12,21H,13H2.
What are the key properties of 2,3-bis(4-bromophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole?
2,3-bis(4-bromophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole has a molecular weight of 490.63 g/mol, XLogP of 7.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-bromophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 3142862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).