(NZ)-N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine

C16H12BrN3O — CID 5399521

IUPAC(NZ)-N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
SMILESO/N=C\c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C16H12BrN3O/c17-14-8-6-12(7-9-14)16-13(10-18-21)11-20(19-16)15-4-2-1-3-5-15/h1-11,21H/b18-10-
InChIKeyLXLJFLXQUQNAHU-ZDLGFXPLSA-N
MW342.20 g/mol
LogP4.11
Rot. Bonds3

About (NZ)-N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine

(NZ)-N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine (PubChem CID 5399521) has the molecular formula C16H12BrN3O and a molecular weight of 342.20 g/mol. Its IUPAC name is (NZ)-N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
PubChem CID5399521
Molecular FormulaC16H12BrN3O
Molecular Weight342.20 g/mol
Exact Mass341.02
IUPAC Name(NZ)-N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
SMILESO/N=C\c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C16H12BrN3O/c17-14-8-6-12(7-9-14)16-13(10-18-21)11-20(19-16)15-4-2-1-3-5-15/h1-11,21H/b18-10-
InChIKeyLXLJFLXQUQNAHU-ZDLGFXPLSA-N
XLogP4.11
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-N-(4-methylphenyl)methanimine
CID 138374021
N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 2423892
N-(4-bromophenyl)-N'-[(Z)-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide
CID 6014809
N-[[3-(4-fluoro-3-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 171150923
N-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 740208
3-(4-bromophenyl)-1-phenylpyrazol-4-ol
CID 99938057
N-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 2423837
(Z)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-2-cyanoprop-2-enoate
CID 2345559
methyl (E)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate
CID 1340560
(2Z)-2-[(Z)-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 146000127
2-[(1,3-diphenylpyrazol-4-yl)methylideneamino]guanidine
CID 2346353
(NE)-N-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 5337245

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine (CID 5399521) is (NZ)-N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine is O/N=C\c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1.
What is the InChIKey of (NZ)-N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine?
The InChIKey is LXLJFLXQUQNAHU-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H12BrN3O/c17-14-8-6-12(7-9-14)16-13(10-18-21)11-20(19-16)15-4-2-1-3-5-15/h1-11,21H/b18-10-.
What are the key properties of (NZ)-N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine?
(NZ)-N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine has a molecular weight of 342.20 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine is sourced from PubChem (CID 5399521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).