2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetohydrazide

C7H11BrN4O — CID 604525

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetohydrazide
SMILESCc1nn(CC(=O)NN)c(C)c1Br
InChIInChI=1S/C7H11BrN4O/c1-4-7(8)5(2)12(11-4)3-6(13)10-9/h3,9H2,1-2H3,(H,10,13)
InChIKeyCIJCDTVASLBRFQ-UHFFFAOYSA-N
MW247.10 g/mol
LogP0.25
Rot. Bonds2

About 2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetohydrazide

2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetohydrazide (PubChem CID 604525) has the molecular formula C7H11BrN4O and a molecular weight of 247.10 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetohydrazide
PubChem CID604525
Molecular FormulaC7H11BrN4O
Molecular Weight247.10 g/mol
Exact Mass246.01
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetohydrazide
SMILESCc1nn(CC(=O)NN)c(C)c1Br
InChIInChI=1S/C7H11BrN4O/c1-4-7(8)5(2)12(11-4)3-6(13)10-9/h3,9H2,1-2H3,(H,10,13)
InChIKeyCIJCDTVASLBRFQ-UHFFFAOYSA-N
XLogP0.25
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 ≤ 50.25
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetohydrazide?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetohydrazide (CID 604525) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetohydrazide.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetohydrazide?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetohydrazide is Cc1nn(CC(=O)NN)c(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetohydrazide?
The InChIKey is CIJCDTVASLBRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN4O/c1-4-7(8)5(2)12(11-4)3-6(13)10-9/h3,9H2,1-2H3,(H,10,13).
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetohydrazide?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetohydrazide has a molecular weight of 247.10 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetohydrazide is sourced from PubChem (CID 604525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).