(4-bromophenyl)-[3-(3,5-dibromo-2-hydroxyphenyl)pyrazol-1-yl]methanone

C16H9Br3N2O2 — CID 155513461

IUPAC(4-bromophenyl)-[3-(3,5-dibromo-2-hydroxyphenyl)pyrazol-1-yl]methanone
SMILESO=C(c1ccc(Br)cc1)n1ccc(-c2cc(Br)cc(Br)c2O)n1
InChIInChI=1S/C16H9Br3N2O2/c17-10-3-1-9(2-4-10)16(23)21-6-5-14(20-21)12-7-11(18)8-13(19)15(12)22/h1-8,22H
InChIKeyGCDQXCGSEDVFPD-UHFFFAOYSA-N
MW500.97 g/mol
LogP5.23
Rot. Bonds2

About (4-bromophenyl)-[3-(3,5-dibromo-2-hydroxyphenyl)pyrazol-1-yl]methanone

(4-bromophenyl)-[3-(3,5-dibromo-2-hydroxyphenyl)pyrazol-1-yl]methanone (PubChem CID 155513461) has the molecular formula C16H9Br3N2O2 and a molecular weight of 500.97 g/mol. Its IUPAC name is (4-bromophenyl)-[3-(3,5-dibromo-2-hydroxyphenyl)pyrazol-1-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[3-(3,5-dibromo-2-hydroxyphenyl)pyrazol-1-yl]methanone
PubChem CID155513461
Molecular FormulaC16H9Br3N2O2
Molecular Weight500.97 g/mol
Exact Mass497.82
IUPAC Name(4-bromophenyl)-[3-(3,5-dibromo-2-hydroxyphenyl)pyrazol-1-yl]methanone
SMILESO=C(c1ccc(Br)cc1)n1ccc(-c2cc(Br)cc(Br)c2O)n1
InChIInChI=1S/C16H9Br3N2O2/c17-10-3-1-9(2-4-10)16(23)21-6-5-14(20-21)12-7-11(18)8-13(19)15(12)22/h1-8,22H
InChIKeyGCDQXCGSEDVFPD-UHFFFAOYSA-N
XLogP5.23
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.97
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-bromophenyl)-[3-(3,5-dibromo-2-hydroxyphenyl)pyrazol-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-Bromo-2-hydroxy-phenyl)-(1-phenyl-1H-pyrazol-4-yl)ketone
CID 688693
2-(1-Benzylpyrazol-3-yl)-4-bromophenol
CID 155568023
(3,5-Dibromo-2-hydroxyphenyl){1-[(naphthalen-1-yl)carbonyl]-1H-pyrazol-4-yl}methanone
CID 139086896
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 4042473
N'-[(E)-(3,5-Dibromo-2-hydroxyphenyl)methylidene]-1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbohydrazide
CID 135614944
N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 136663477
5-bromo-N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide
CID 141322559
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 1268417
1-[(3-bromophenyl)methyl]-N-[(2-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide
CID 1268421
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-1-[(3-bromophenyl)methyl]pyrazole-3-carboxamide
CID 1268452
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 1268475
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-1-[(4-bromophenyl)methyl]pyrazole-3-carboxamide
CID 1271938

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[3-(3,5-dibromo-2-hydroxyphenyl)pyrazol-1-yl]methanone?
The IUPAC name of (4-bromophenyl)-[3-(3,5-dibromo-2-hydroxyphenyl)pyrazol-1-yl]methanone (CID 155513461) is (4-bromophenyl)-[3-(3,5-dibromo-2-hydroxyphenyl)pyrazol-1-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[3-(3,5-dibromo-2-hydroxyphenyl)pyrazol-1-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[3-(3,5-dibromo-2-hydroxyphenyl)pyrazol-1-yl]methanone is O=C(c1ccc(Br)cc1)n1ccc(-c2cc(Br)cc(Br)c2O)n1.
What is the InChIKey of (4-bromophenyl)-[3-(3,5-dibromo-2-hydroxyphenyl)pyrazol-1-yl]methanone?
The InChIKey is GCDQXCGSEDVFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Br3N2O2/c17-10-3-1-9(2-4-10)16(23)21-6-5-14(20-21)12-7-11(18)8-13(19)15(12)22/h1-8,22H.
What are the key properties of (4-bromophenyl)-[3-(3,5-dibromo-2-hydroxyphenyl)pyrazol-1-yl]methanone?
(4-bromophenyl)-[3-(3,5-dibromo-2-hydroxyphenyl)pyrazol-1-yl]methanone has a molecular weight of 500.97 g/mol, XLogP of 5.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[3-(3,5-dibromo-2-hydroxyphenyl)pyrazol-1-yl]methanone is sourced from PubChem (CID 155513461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).