4-bromo-1-ethylpyrazole-3-carbohydrazide

C6H9BrN4O — CID 840889

IUPAC4-bromo-1-ethylpyrazole-3-carbohydrazide
SMILESCCn1cc(Br)c(C(=O)NN)n1
InChIInChI=1S/C6H9BrN4O/c1-2-11-3-4(7)5(10-11)6(12)9-8/h3H,2,8H2,1H3,(H,9,12)
InChIKeyWMUOIHRODFJQFW-UHFFFAOYSA-N
MW233.07 g/mol
LogP0.27
Rot. Bonds2

About 4-bromo-1-ethylpyrazole-3-carbohydrazide

4-bromo-1-ethylpyrazole-3-carbohydrazide (PubChem CID 840889) has the molecular formula C6H9BrN4O and a molecular weight of 233.07 g/mol. Its IUPAC name is 4-bromo-1-ethylpyrazole-3-carbohydrazide.

Molecular Properties

Compound Name4-bromo-1-ethylpyrazole-3-carbohydrazide
PubChem CID840889
Molecular FormulaC6H9BrN4O
Molecular Weight233.07 g/mol
Exact Mass232.00
IUPAC Name4-bromo-1-ethylpyrazole-3-carbohydrazide
SMILESCCn1cc(Br)c(C(=O)NN)n1
InChIInChI=1S/C6H9BrN4O/c1-2-11-3-4(7)5(10-11)6(12)9-8/h3H,2,8H2,1H3,(H,9,12)
InChIKeyWMUOIHRODFJQFW-UHFFFAOYSA-N
XLogP0.27
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.07
LogP ≤ 50.27
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 4-bromo-1-ethylpyrazole-3-carbohydrazide?
The IUPAC name of 4-bromo-1-ethylpyrazole-3-carbohydrazide (CID 840889) is 4-bromo-1-ethylpyrazole-3-carbohydrazide.
What is the SMILES notation for 4-bromo-1-ethylpyrazole-3-carbohydrazide?
The canonical SMILES for 4-bromo-1-ethylpyrazole-3-carbohydrazide is CCn1cc(Br)c(C(=O)NN)n1.
What is the InChIKey of 4-bromo-1-ethylpyrazole-3-carbohydrazide?
The InChIKey is WMUOIHRODFJQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN4O/c1-2-11-3-4(7)5(10-11)6(12)9-8/h3H,2,8H2,1H3,(H,9,12).
What are the key properties of 4-bromo-1-ethylpyrazole-3-carbohydrazide?
4-bromo-1-ethylpyrazole-3-carbohydrazide has a molecular weight of 233.07 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethylpyrazole-3-carbohydrazide is sourced from PubChem (CID 840889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).