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

C8H13BrN4O — CID 17024646

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanehydrazide
SMILESCc1nn(C(C)C(=O)NN)c(C)c1Br
InChIInChI=1S/C8H13BrN4O/c1-4-7(9)5(2)13(12-4)6(3)8(14)11-10/h6H,10H2,1-3H3,(H,11,14)
InChIKeyAWSMUWCXUUXIQQ-UHFFFAOYSA-N
MW261.12 g/mol
LogP0.81
Rot. Bonds2

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

2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanehydrazide (PubChem CID 17024646) has the molecular formula C8H13BrN4O and a molecular weight of 261.12 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanehydrazide.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanehydrazide
PubChem CID17024646
Molecular FormulaC8H13BrN4O
Molecular Weight261.12 g/mol
Exact Mass260.03
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanehydrazide
SMILESCc1nn(C(C)C(=O)NN)c(C)c1Br
InChIInChI=1S/C8H13BrN4O/c1-4-7(9)5(2)13(12-4)6(3)8(14)11-10/h6H,10H2,1-3H3,(H,11,14)
InChIKeyAWSMUWCXUUXIQQ-UHFFFAOYSA-N
XLogP0.81
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 50.81
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)propanehydrazide?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanehydrazide (CID 17024646) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanehydrazide.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanehydrazide?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanehydrazide is Cc1nn(C(C)C(=O)NN)c(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanehydrazide?
The InChIKey is AWSMUWCXUUXIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN4O/c1-4-7(9)5(2)13(12-4)6(3)8(14)11-10/h6H,10H2,1-3H3,(H,11,14).
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanehydrazide?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanehydrazide has a molecular weight of 261.12 g/mol, XLogP of 0.81, 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)propanehydrazide is sourced from PubChem (CID 17024646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).