[(Z)-(4-bromo-1-methylpyrazol-3-yl)methylideneamino] N-methylcarbamate

C7H9BrN4O2 — CID 6065683

IUPAC[(Z)-(4-bromo-1-methylpyrazol-3-yl)methylideneamino] N-methylcarbamate
SMILESCNC(=O)O/N=C\c1nn(C)cc1Br
InChIInChI=1S/C7H9BrN4O2/c1-9-7(13)14-10-3-6-5(8)4-12(2)11-6/h3-4H,1-2H3,(H,9,13)/b10-3-
InChIKeyKMXULCQZSYCLSW-KMKOMSMNSA-N
MW261.08 g/mol
LogP0.87
Rot. Bonds2

About [(Z)-(4-bromo-1-methylpyrazol-3-yl)methylideneamino] N-methylcarbamate

[(Z)-(4-bromo-1-methylpyrazol-3-yl)methylideneamino] N-methylcarbamate (PubChem CID 6065683) has the molecular formula C7H9BrN4O2 and a molecular weight of 261.08 g/mol. Its IUPAC name is [(Z)-(4-bromo-1-methylpyrazol-3-yl)methylideneamino] N-methylcarbamate.

Molecular Properties

Compound Name[(Z)-(4-bromo-1-methylpyrazol-3-yl)methylideneamino] N-methylcarbamate
PubChem CID6065683
Molecular FormulaC7H9BrN4O2
Molecular Weight261.08 g/mol
Exact Mass259.99
IUPAC Name[(Z)-(4-bromo-1-methylpyrazol-3-yl)methylideneamino] N-methylcarbamate
SMILESCNC(=O)O/N=C\c1nn(C)cc1Br
InChIInChI=1S/C7H9BrN4O2/c1-9-7(13)14-10-3-6-5(8)4-12(2)11-6/h3-4H,1-2H3,(H,9,13)/b10-3-
InChIKeyKMXULCQZSYCLSW-KMKOMSMNSA-N
XLogP0.87
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.08
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(Z)-(4-bromo-1-methylpyrazol-3-yl)methylideneamino] N-methylcarbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(Z)-(4-bromo-1-methylpyrazol-3-yl)methylideneamino] N-methylcarbamate?
The IUPAC name of [(Z)-(4-bromo-1-methylpyrazol-3-yl)methylideneamino] N-methylcarbamate (CID 6065683) is [(Z)-(4-bromo-1-methylpyrazol-3-yl)methylideneamino] N-methylcarbamate.
What is the SMILES notation for [(Z)-(4-bromo-1-methylpyrazol-3-yl)methylideneamino] N-methylcarbamate?
The canonical SMILES for [(Z)-(4-bromo-1-methylpyrazol-3-yl)methylideneamino] N-methylcarbamate is CNC(=O)O/N=C\c1nn(C)cc1Br.
What is the InChIKey of [(Z)-(4-bromo-1-methylpyrazol-3-yl)methylideneamino] N-methylcarbamate?
The InChIKey is KMXULCQZSYCLSW-KMKOMSMNSA-N. The full InChI is InChI=1S/C7H9BrN4O2/c1-9-7(13)14-10-3-6-5(8)4-12(2)11-6/h3-4H,1-2H3,(H,9,13)/b10-3-.
What are the key properties of [(Z)-(4-bromo-1-methylpyrazol-3-yl)methylideneamino] N-methylcarbamate?
[(Z)-(4-bromo-1-methylpyrazol-3-yl)methylideneamino] N-methylcarbamate has a molecular weight of 261.08 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(4-bromo-1-methylpyrazol-3-yl)methylideneamino] N-methylcarbamate is sourced from PubChem (CID 6065683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).