2-(4-bromo-3-methylpyrazol-1-yl)propanehydrazide

C7H11BrN4O — CID 17024696

IUPAC2-(4-bromo-3-methylpyrazol-1-yl)propanehydrazide
SMILESCc1nn(C(C)C(=O)NN)cc1Br
InChIInChI=1S/C7H11BrN4O/c1-4-6(8)3-12(11-4)5(2)7(13)10-9/h3,5H,9H2,1-2H3,(H,10,13)
InChIKeyRPOGWCUSHRFDEO-UHFFFAOYSA-N
MW247.10 g/mol
LogP0.50
Rot. Bonds2

About 2-(4-bromo-3-methylpyrazol-1-yl)propanehydrazide

2-(4-bromo-3-methylpyrazol-1-yl)propanehydrazide (PubChem CID 17024696) has the molecular formula C7H11BrN4O and a molecular weight of 247.10 g/mol. Its IUPAC name is 2-(4-bromo-3-methylpyrazol-1-yl)propanehydrazide.

Molecular Properties

Compound Name2-(4-bromo-3-methylpyrazol-1-yl)propanehydrazide
PubChem CID17024696
Molecular FormulaC7H11BrN4O
Molecular Weight247.10 g/mol
Exact Mass246.01
IUPAC Name2-(4-bromo-3-methylpyrazol-1-yl)propanehydrazide
SMILESCc1nn(C(C)C(=O)NN)cc1Br
InChIInChI=1S/C7H11BrN4O/c1-4-6(8)3-12(11-4)5(2)7(13)10-9/h3,5H,9H2,1-2H3,(H,10,13)
InChIKeyRPOGWCUSHRFDEO-UHFFFAOYSA-N
XLogP0.50
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.10
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-bromo-3-methylpyrazol-1-yl)propanehydrazide 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 2-(4-bromo-3-methylpyrazol-1-yl)propanehydrazide?
The IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)propanehydrazide (CID 17024696) is 2-(4-bromo-3-methylpyrazol-1-yl)propanehydrazide.
What is the SMILES notation for 2-(4-bromo-3-methylpyrazol-1-yl)propanehydrazide?
The canonical SMILES for 2-(4-bromo-3-methylpyrazol-1-yl)propanehydrazide is Cc1nn(C(C)C(=O)NN)cc1Br.
What is the InChIKey of 2-(4-bromo-3-methylpyrazol-1-yl)propanehydrazide?
The InChIKey is RPOGWCUSHRFDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN4O/c1-4-6(8)3-12(11-4)5(2)7(13)10-9/h3,5H,9H2,1-2H3,(H,10,13).
What are the key properties of 2-(4-bromo-3-methylpyrazol-1-yl)propanehydrazide?
2-(4-bromo-3-methylpyrazol-1-yl)propanehydrazide has a molecular weight of 247.10 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylpyrazol-1-yl)propanehydrazide is sourced from PubChem (CID 17024696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).