4-bromo-3-(3,4-dichlorophenyl)-5-phenyl-1H-pyrazole

C15H9BrCl2N2 — CID 54460716

IUPAC4-bromo-3-(3,4-dichlorophenyl)-5-phenyl-1H-pyrazole
SMILESClc1ccc(-c2n[nH]c(-c3ccccc3)c2Br)cc1Cl
InChIInChI=1S/C15H9BrCl2N2/c16-13-14(9-4-2-1-3-5-9)19-20-15(13)10-6-7-11(17)12(18)8-10/h1-8H,(H,19,20)
InChIKeyXBKFKUJGUBPZQE-UHFFFAOYSA-N
MW368.06 g/mol
LogP5.81
Rot. Bonds2

About 4-bromo-3-(3,4-dichlorophenyl)-5-phenyl-1H-pyrazole

4-bromo-3-(3,4-dichlorophenyl)-5-phenyl-1H-pyrazole (PubChem CID 54460716) has the molecular formula C15H9BrCl2N2 and a molecular weight of 368.06 g/mol. Its IUPAC name is 4-bromo-3-(3,4-dichlorophenyl)-5-phenyl-1H-pyrazole.

Molecular Properties

Compound Name4-bromo-3-(3,4-dichlorophenyl)-5-phenyl-1H-pyrazole
PubChem CID54460716
Molecular FormulaC15H9BrCl2N2
Molecular Weight368.06 g/mol
Exact Mass365.93
IUPAC Name4-bromo-3-(3,4-dichlorophenyl)-5-phenyl-1H-pyrazole
SMILESClc1ccc(-c2n[nH]c(-c3ccccc3)c2Br)cc1Cl
InChIInChI=1S/C15H9BrCl2N2/c16-13-14(9-4-2-1-3-5-9)19-20-15(13)10-6-7-11(17)12(18)8-10/h1-8H,(H,19,20)
InChIKeyXBKFKUJGUBPZQE-UHFFFAOYSA-N
XLogP5.81
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.06
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3,4-dichlorophenyl)-2H-phthalazine-1-thione
CID 106516345
4-bromo-5-phenyl-1H-pyrazole-3-diazonium
CID 12638892
3-chloro-2-(3,4-dichlorophenyl)pyridine
CID 133088428
3-[3-(4-cyano-5-phenyl-1H-pyrazol-3-yl)phenyl]-5-phenyl-1H-pyrazole-4-carbonitrile
CID 118532822
4-bromo-5-(3,4-dichlorophenyl)-1H-pyrazole
CID 15766316
3-(3-bromo-4-chlorophenyl)-5-phenyl-1H-1,2,4-triazole
CID 107989225
5-[3-(3,4-dichlorophenyl)phenyl]-2H-triazole-4-carboxylic acid
CID 155250572
5-(2,4-dichlorophenyl)-3-phenyl-1H-pyrazol-4-ol
CID 170556882
4-bromo-5-methyl-3-naphthalen-2-yl-1H-pyrazole
CID 116856703
CID 170844507
CID 170844507
4-chloro-6-(3,4-dichlorophenyl)-2-phenylpyrimidine
CID 115914999
2-[2-(3,4-dichlorophenyl)phenyl]pyrimidine
CID 101434001

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(3,4-dichlorophenyl)-5-phenyl-1H-pyrazole?
The IUPAC name of 4-bromo-3-(3,4-dichlorophenyl)-5-phenyl-1H-pyrazole (CID 54460716) is 4-bromo-3-(3,4-dichlorophenyl)-5-phenyl-1H-pyrazole.
What is the SMILES notation for 4-bromo-3-(3,4-dichlorophenyl)-5-phenyl-1H-pyrazole?
The canonical SMILES for 4-bromo-3-(3,4-dichlorophenyl)-5-phenyl-1H-pyrazole is Clc1ccc(-c2n[nH]c(-c3ccccc3)c2Br)cc1Cl.
What is the InChIKey of 4-bromo-3-(3,4-dichlorophenyl)-5-phenyl-1H-pyrazole?
The InChIKey is XBKFKUJGUBPZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrCl2N2/c16-13-14(9-4-2-1-3-5-9)19-20-15(13)10-6-7-11(17)12(18)8-10/h1-8H,(H,19,20).
What are the key properties of 4-bromo-3-(3,4-dichlorophenyl)-5-phenyl-1H-pyrazole?
4-bromo-3-(3,4-dichlorophenyl)-5-phenyl-1H-pyrazole has a molecular weight of 368.06 g/mol, XLogP of 5.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(3,4-dichlorophenyl)-5-phenyl-1H-pyrazole is sourced from PubChem (CID 54460716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).