4-bromo-3-(ethoxyiminomethyl)-N-methylpyrazole-1-carboxamide

C8H11BrN4O2 — CID 2727115

IUPAC4-bromo-3-(ethoxyiminomethyl)-N-methylpyrazole-1-carboxamide
SMILESCCON=Cc1nn(C(=O)NC)cc1Br
InChIInChI=1S/C8H11BrN4O2/c1-3-15-11-4-7-6(9)5-13(12-7)8(14)10-2/h4-5H,3H2,1-2H3,(H,10,14)
InChIKeyZVBZPVVFGUEION-UHFFFAOYSA-N
MW275.11 g/mol
LogP1.20
Rot. Bonds3

About 4-bromo-3-(ethoxyiminomethyl)-N-methylpyrazole-1-carboxamide

4-bromo-3-(ethoxyiminomethyl)-N-methylpyrazole-1-carboxamide (PubChem CID 2727115) has the molecular formula C8H11BrN4O2 and a molecular weight of 275.11 g/mol. Its IUPAC name is 4-bromo-3-(ethoxyiminomethyl)-N-methylpyrazole-1-carboxamide.

Molecular Properties

Compound Name4-bromo-3-(ethoxyiminomethyl)-N-methylpyrazole-1-carboxamide
PubChem CID2727115
Molecular FormulaC8H11BrN4O2
Molecular Weight275.11 g/mol
Exact Mass274.01
IUPAC Name4-bromo-3-(ethoxyiminomethyl)-N-methylpyrazole-1-carboxamide
SMILESCCON=Cc1nn(C(=O)NC)cc1Br
InChIInChI=1S/C8H11BrN4O2/c1-3-15-11-4-7-6(9)5-13(12-7)8(14)10-2/h4-5H,3H2,1-2H3,(H,10,14)
InChIKeyZVBZPVVFGUEION-UHFFFAOYSA-N
XLogP1.20
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.11
LogP ≤ 51.20
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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(ethoxyiminomethyl)-N-methylpyrazole-1-carboxamide?
The IUPAC name of 4-bromo-3-(ethoxyiminomethyl)-N-methylpyrazole-1-carboxamide (CID 2727115) is 4-bromo-3-(ethoxyiminomethyl)-N-methylpyrazole-1-carboxamide.
What is the SMILES notation for 4-bromo-3-(ethoxyiminomethyl)-N-methylpyrazole-1-carboxamide?
The canonical SMILES for 4-bromo-3-(ethoxyiminomethyl)-N-methylpyrazole-1-carboxamide is CCON=Cc1nn(C(=O)NC)cc1Br.
What is the InChIKey of 4-bromo-3-(ethoxyiminomethyl)-N-methylpyrazole-1-carboxamide?
The InChIKey is ZVBZPVVFGUEION-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN4O2/c1-3-15-11-4-7-6(9)5-13(12-7)8(14)10-2/h4-5H,3H2,1-2H3,(H,10,14).
What are the key properties of 4-bromo-3-(ethoxyiminomethyl)-N-methylpyrazole-1-carboxamide?
4-bromo-3-(ethoxyiminomethyl)-N-methylpyrazole-1-carboxamide has a molecular weight of 275.11 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(ethoxyiminomethyl)-N-methylpyrazole-1-carboxamide is sourced from PubChem (CID 2727115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).