5-bromo-N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide

C23H17BrN4O2 — CID 141322559

IUPAC5-bromo-N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide
SMILESO=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1cc(Br)ccc1O
InChIInChI=1S/C23H17BrN4O2/c24-18-11-12-21(29)20(13-18)23(30)26-25-14-17-15-28(19-9-5-2-6-10-19)27-22(17)16-7-3-1-4-8-16/h1-15,29H,(H,26,30)
InChIKeyJDSAEETZDVWPPZ-UHFFFAOYSA-N
MW461.32 g/mol
LogP4.77
Rot. Bonds5

About 5-bromo-N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide

5-bromo-N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide (PubChem CID 141322559) has the molecular formula C23H17BrN4O2 and a molecular weight of 461.32 g/mol. Its IUPAC name is 5-bromo-N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide
PubChem CID141322559
Molecular FormulaC23H17BrN4O2
Molecular Weight461.32 g/mol
Exact Mass460.05
IUPAC Name5-bromo-N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide
SMILESO=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1cc(Br)ccc1O
InChIInChI=1S/C23H17BrN4O2/c24-18-11-12-21(29)20(13-18)23(30)26-25-14-17-15-28(19-9-5-2-6-10-19)27-22(17)16-7-3-1-4-8-16/h1-15,29H,(H,26,30)
InChIKeyJDSAEETZDVWPPZ-UHFFFAOYSA-N
XLogP4.77
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.32
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5-Bromo-2-hydroxy-phenyl)-(1-phenyl-1H-pyrazol-4-yl)ketone
CID 688693
5-bromo-2-hydroxy-N-[1-(2-pyridinyl)ethylideneamino]benzamide
CID 9566836
5-bromo-2-hydroxy-N'-[(E)-1H-indol-3-ylmethylidene]benzohydrazide
CID 135567681
N'-[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-hydroxybenzohydrazide
CID 6890194
5-bromo-2-hydroxy-N-[[(1-methylindol-2-yl)-phenylmethylidene]amino]benzamide
CID 73345230
5-bromo-2-hydroxy-N'-[(1E)-pyridin-2-ylmethylene]benzohydrazide
CID 9661909
(E)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-1-(2-hydroxyphenyl)prop-2-en-1-one
CID 24813410
(E)-N-[(E)-benzylideneamino]-2-(4-hydroxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 44569670
(5-Bromo-2-hydroxy-phenyl)-[1-(3,4-difluorophenyl)pyrazol-4-yl]methanone
CID 49866081
(E)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 135960778
4-[4-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-3-phenylpyrazol-1-yl]benzoic acid
CID 137645446
(4-Bromophenyl)-[3-(3,5-dibromo-2-hydroxyphenyl)pyrazol-1-yl]methanone
CID 155513461

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide (CID 141322559) is 5-bromo-N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide is O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide?
The InChIKey is JDSAEETZDVWPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrN4O2/c24-18-11-12-21(29)20(13-18)23(30)26-25-14-17-15-28(19-9-5-2-6-10-19)27-22(17)16-7-3-1-4-8-16/h1-15,29H,(H,26,30).
What are the key properties of 5-bromo-N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide?
5-bromo-N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide has a molecular weight of 461.32 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 141322559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).