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

C6H8BrN5O3 — CID 63581855

IUPAC2-(4-bromo-3-nitropyrazol-1-yl)propanehydrazide
SMILESCC(C(=O)NN)n1cc(Br)c([N+](=O)[O-])n1
InChIInChI=1S/C6H8BrN5O3/c1-3(6(13)9-8)11-2-4(7)5(10-11)12(14)15/h2-3H,8H2,1H3,(H,9,13)
InChIKeyLPHFVZUBHSYFKZ-UHFFFAOYSA-N
MW278.07 g/mol
LogP0.10
Rot. Bonds3

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

2-(4-bromo-3-nitropyrazol-1-yl)propanehydrazide (PubChem CID 63581855) has the molecular formula C6H8BrN5O3 and a molecular weight of 278.07 g/mol. Its IUPAC name is 2-(4-bromo-3-nitropyrazol-1-yl)propanehydrazide.

Molecular Properties

Compound Name2-(4-bromo-3-nitropyrazol-1-yl)propanehydrazide
PubChem CID63581855
Molecular FormulaC6H8BrN5O3
Molecular Weight278.07 g/mol
Exact Mass276.98
IUPAC Name2-(4-bromo-3-nitropyrazol-1-yl)propanehydrazide
SMILESCC(C(=O)NN)n1cc(Br)c([N+](=O)[O-])n1
InChIInChI=1S/C6H8BrN5O3/c1-3(6(13)9-8)11-2-4(7)5(10-11)12(14)15/h2-3H,8H2,1H3,(H,9,13)
InChIKeyLPHFVZUBHSYFKZ-UHFFFAOYSA-N
XLogP0.10
TPSA116.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.07
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-nitropyrazol-1-yl)propanehydrazide?
The IUPAC name of 2-(4-bromo-3-nitropyrazol-1-yl)propanehydrazide (CID 63581855) is 2-(4-bromo-3-nitropyrazol-1-yl)propanehydrazide.
What is the SMILES notation for 2-(4-bromo-3-nitropyrazol-1-yl)propanehydrazide?
The canonical SMILES for 2-(4-bromo-3-nitropyrazol-1-yl)propanehydrazide is CC(C(=O)NN)n1cc(Br)c([N+](=O)[O-])n1.
What is the InChIKey of 2-(4-bromo-3-nitropyrazol-1-yl)propanehydrazide?
The InChIKey is LPHFVZUBHSYFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN5O3/c1-3(6(13)9-8)11-2-4(7)5(10-11)12(14)15/h2-3H,8H2,1H3,(H,9,13).
What are the key properties of 2-(4-bromo-3-nitropyrazol-1-yl)propanehydrazide?
2-(4-bromo-3-nitropyrazol-1-yl)propanehydrazide has a molecular weight of 278.07 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-nitropyrazol-1-yl)propanehydrazide is sourced from PubChem (CID 63581855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).