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

C21H15BrClFN2 — CID 3144936

IUPAC2-(4-bromophenyl)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole
SMILESFc1ccc(C2CC(c3ccc(Cl)cc3)=NN2c2ccc(Br)cc2)cc1
InChIInChI=1S/C21H15BrClFN2/c22-16-5-11-19(12-6-16)26-21(15-3-9-18(24)10-4-15)13-20(25-26)14-1-7-17(23)8-2-14/h1-12,21H,13H2
InChIKeyOUYLDRCFVYJSOQ-UHFFFAOYSA-N
MW429.72 g/mol
LogP6.60
Rot. Bonds3

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

2-(4-bromophenyl)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole (PubChem CID 3144936) has the molecular formula C21H15BrClFN2 and a molecular weight of 429.72 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole
PubChem CID3144936
Molecular FormulaC21H15BrClFN2
Molecular Weight429.72 g/mol
Exact Mass428.01
IUPAC Name2-(4-bromophenyl)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole
SMILESFc1ccc(C2CC(c3ccc(Cl)cc3)=NN2c2ccc(Br)cc2)cc1
InChIInChI=1S/C21H15BrClFN2/c22-16-5-11-19(12-6-16)26-21(15-3-9-18(24)10-4-15)13-20(25-26)14-1-7-17(23)8-2-14/h1-12,21H,13H2
InChIKeyOUYLDRCFVYJSOQ-UHFFFAOYSA-N
XLogP6.60
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.72
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-bis(4-bromophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole
CID 3142862
(3R)-5-(4-bromophenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
CID 7277369
3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazole
CID 3091732
2-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 3144804
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
(3R)-5-(4-bromophenyl)-2-(3-fluorophenyl)-3-phenyl-3,4-dihydropyrazole
CID 7452769

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole?
The IUPAC name of 2-(4-bromophenyl)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole (CID 3144936) is 2-(4-bromophenyl)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole.
What is the SMILES notation for 2-(4-bromophenyl)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole?
The canonical SMILES for 2-(4-bromophenyl)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole is Fc1ccc(C2CC(c3ccc(Cl)cc3)=NN2c2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole?
The InChIKey is OUYLDRCFVYJSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrClFN2/c22-16-5-11-19(12-6-16)26-21(15-3-9-18(24)10-4-15)13-20(25-26)14-1-7-17(23)8-2-14/h1-12,21H,13H2.
What are the key properties of 2-(4-bromophenyl)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole?
2-(4-bromophenyl)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole has a molecular weight of 429.72 g/mol, XLogP of 6.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 3144936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).