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

C7H11BrN4O — CID 7018421

IUPAC3-(4-bromo-3-methylpyrazol-1-yl)propanehydrazide
SMILESCc1nn(CCC(=O)NN)cc1Br
InChIInChI=1S/C7H11BrN4O/c1-5-6(8)4-12(11-5)3-2-7(13)10-9/h4H,2-3,9H2,1H3,(H,10,13)
InChIKeyGEMKUEMXLAFNKO-UHFFFAOYSA-N
MW247.10 g/mol
LogP0.33
Rot. Bonds3

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

3-(4-bromo-3-methylpyrazol-1-yl)propanehydrazide (PubChem CID 7018421) has the molecular formula C7H11BrN4O and a molecular weight of 247.10 g/mol. Its IUPAC name is 3-(4-bromo-3-methylpyrazol-1-yl)propanehydrazide.

Molecular Properties

Compound Name3-(4-bromo-3-methylpyrazol-1-yl)propanehydrazide
PubChem CID7018421
Molecular FormulaC7H11BrN4O
Molecular Weight247.10 g/mol
Exact Mass246.01
IUPAC Name3-(4-bromo-3-methylpyrazol-1-yl)propanehydrazide
SMILESCc1nn(CCC(=O)NN)cc1Br
InChIInChI=1S/C7H11BrN4O/c1-5-6(8)4-12(11-5)3-2-7(13)10-9/h4H,2-3,9H2,1H3,(H,10,13)
InChIKeyGEMKUEMXLAFNKO-UHFFFAOYSA-N
XLogP0.33
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.10
LogP ≤ 50.33
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 3-(4-bromo-3-methylpyrazol-1-yl)propanehydrazide?
The IUPAC name of 3-(4-bromo-3-methylpyrazol-1-yl)propanehydrazide (CID 7018421) is 3-(4-bromo-3-methylpyrazol-1-yl)propanehydrazide.
What is the SMILES notation for 3-(4-bromo-3-methylpyrazol-1-yl)propanehydrazide?
The canonical SMILES for 3-(4-bromo-3-methylpyrazol-1-yl)propanehydrazide is Cc1nn(CCC(=O)NN)cc1Br.
What is the InChIKey of 3-(4-bromo-3-methylpyrazol-1-yl)propanehydrazide?
The InChIKey is GEMKUEMXLAFNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN4O/c1-5-6(8)4-12(11-5)3-2-7(13)10-9/h4H,2-3,9H2,1H3,(H,10,13).
What are the key properties of 3-(4-bromo-3-methylpyrazol-1-yl)propanehydrazide?
3-(4-bromo-3-methylpyrazol-1-yl)propanehydrazide has a molecular weight of 247.10 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-methylpyrazol-1-yl)propanehydrazide is sourced from PubChem (CID 7018421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).