1-(4-bromophenyl)pyrazole;1-[4-(4-methylphenyl)phenyl]pyrazole

C25H21BrN4 — CID 159983021

IUPAC1-(4-bromophenyl)pyrazole;1-[4-(4-methylphenyl)phenyl]pyrazole
SMILESBrc1ccc(-n2cccn2)cc1.Cc1ccc(-c2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C16H14N2.C9H7BrN2/c1-13-3-5-14(6-4-13)15-7-9-16(10-8-15)18-12-2-11-17-18;10-8-2-4-9(5-3-8)12-7-1-6-11-12/h2-12H,1H3;1-7H
InChIKeyOFZYPIHSJMJMJF-UHFFFAOYSA-N
MW457.38 g/mol
LogP6.48
Rot. Bonds3

About 1-(4-bromophenyl)pyrazole;1-[4-(4-methylphenyl)phenyl]pyrazole

1-(4-bromophenyl)pyrazole;1-[4-(4-methylphenyl)phenyl]pyrazole (PubChem CID 159983021) has the molecular formula C25H21BrN4 and a molecular weight of 457.38 g/mol. Its IUPAC name is 1-(4-bromophenyl)pyrazole;1-[4-(4-methylphenyl)phenyl]pyrazole.

Molecular Properties

Compound Name1-(4-bromophenyl)pyrazole;1-[4-(4-methylphenyl)phenyl]pyrazole
PubChem CID159983021
Molecular FormulaC25H21BrN4
Molecular Weight457.38 g/mol
Exact Mass456.09
IUPAC Name1-(4-bromophenyl)pyrazole;1-[4-(4-methylphenyl)phenyl]pyrazole
SMILESBrc1ccc(-n2cccn2)cc1.Cc1ccc(-c2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C16H14N2.C9H7BrN2/c1-13-3-5-14(6-4-13)15-7-9-16(10-8-15)18-12-2-11-17-18;10-8-2-4-9(5-3-8)12-7-1-6-11-12/h2-12H,1H3;1-7H
InChIKeyOFZYPIHSJMJMJF-UHFFFAOYSA-N
XLogP6.48
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.38
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[1-(4-Bromophenyl)-3-(p-tolyl)pyrazol-4-yl]-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 118734053
N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylaniline
CID 66560343
4-bromo-N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methyl]aniline
CID 66560258
4-bromo-N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]aniline
CID 66560259
N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methyl]aniline
CID 118736303
4-bromo-N-[(1,3-diphenylpyrazol-4-yl)methyl]aniline
CID 118736304
4-bromo-N-[[1-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]aniline
CID 118736305
1,1'-(2,2',3,3',5,5',6,6'-octafluoro-4,4'-biphenyldiyl)bis-1H-pyrazole
CID 2178095
Apoptosis inducer 5d
CID 12282592
1-[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-N-methyl-N-[4-(1H-pyrazol-1-yl)benzyl]methanamine
CID 16191021
4-[(3R)-5-(4-bromophenyl)-2-nitroso-3,4-dihydropyrazol-3-yl]-3-(4-fluorophenyl)-1-phenylpyrazole
CID 57401181
4-[5-(4-Bromophenyl)-2-nitroso-3,4-dihydropyrazol-3-yl]-3-(4-fluorophenyl)-1-phenyl-pyrazole
CID 71594538

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)pyrazole;1-[4-(4-methylphenyl)phenyl]pyrazole?
The IUPAC name of 1-(4-bromophenyl)pyrazole;1-[4-(4-methylphenyl)phenyl]pyrazole (CID 159983021) is 1-(4-bromophenyl)pyrazole;1-[4-(4-methylphenyl)phenyl]pyrazole.
What is the SMILES notation for 1-(4-bromophenyl)pyrazole;1-[4-(4-methylphenyl)phenyl]pyrazole?
The canonical SMILES for 1-(4-bromophenyl)pyrazole;1-[4-(4-methylphenyl)phenyl]pyrazole is Brc1ccc(-n2cccn2)cc1.Cc1ccc(-c2ccc(-n3cccn3)cc2)cc1.
What is the InChIKey of 1-(4-bromophenyl)pyrazole;1-[4-(4-methylphenyl)phenyl]pyrazole?
The InChIKey is OFZYPIHSJMJMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2.C9H7BrN2/c1-13-3-5-14(6-4-13)15-7-9-16(10-8-15)18-12-2-11-17-18;10-8-2-4-9(5-3-8)12-7-1-6-11-12/h2-12H,1H3;1-7H.
What are the key properties of 1-(4-bromophenyl)pyrazole;1-[4-(4-methylphenyl)phenyl]pyrazole?
1-(4-bromophenyl)pyrazole;1-[4-(4-methylphenyl)phenyl]pyrazole has a molecular weight of 457.38 g/mol, XLogP of 6.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)pyrazole;1-[4-(4-methylphenyl)phenyl]pyrazole is sourced from PubChem (CID 159983021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).