2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C15H17BrN4O2 — CID 9354583

IUPAC2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CO/N=C\c1ccccc1Br
InChIInChI=1S/C15H17BrN4O2/c1-10-15(11(2)20(3)19-10)18-14(21)9-22-17-8-12-6-4-5-7-13(12)16/h4-8H,9H2,1-3H3,(H,18,21)/b17-8-
InChIKeyGEUWQJMQCASPEW-IUXPMGMMSA-N
MW365.23 g/mol
LogP2.79
Rot. Bonds5

About 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 9354583) has the molecular formula C15H17BrN4O2 and a molecular weight of 365.23 g/mol. Its IUPAC name is 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID9354583
Molecular FormulaC15H17BrN4O2
Molecular Weight365.23 g/mol
Exact Mass364.05
IUPAC Name2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CO/N=C\c1ccccc1Br
InChIInChI=1S/C15H17BrN4O2/c1-10-15(11(2)20(3)19-10)18-14(21)9-22-17-8-12-6-4-5-7-13(12)16/h4-8H,9H2,1-3H3,(H,18,21)/b17-8-
InChIKeyGEUWQJMQCASPEW-IUXPMGMMSA-N
XLogP2.79
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 52.79
H-Bond Donors ≤ 51
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

2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 9354662
2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(4-fluorophenyl)acetamide
CID 7670659
2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(2-methylsulfonylphenyl)acetamide
CID 9354585
[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] (E)-3-(2-bromophenyl)prop-2-enoate
CID 8942782
2-[(2-bromophenyl)methylideneamino]oxyacetic acid
CID 2336636
3-oxo-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110473196
4-oxo-4-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)butanamide
CID 20969113
2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60717287
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] (E)-3-(4-bromophenyl)prop-2-enoate
CID 8600801
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-phenylacetate
CID 7697898
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 7702649
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] (2S)-2-phenoxybutanoate
CID 7704995

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 9354583) is 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1NC(=O)CO/N=C\c1ccccc1Br.
What is the InChIKey of 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is GEUWQJMQCASPEW-IUXPMGMMSA-N. The full InChI is InChI=1S/C15H17BrN4O2/c1-10-15(11(2)20(3)19-10)18-14(21)9-22-17-8-12-6-4-5-7-13(12)16/h4-8H,9H2,1-3H3,(H,18,21)/b17-8-.
What are the key properties of 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 365.23 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 9354583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).