3-(4-bromo-5-methylpyrazol-1-yl)propanehydrazide

C7H11BrN4O — CID 7018423

IUPAC3-(4-bromo-5-methylpyrazol-1-yl)propanehydrazide
SMILESCc1c(Br)cnn1CCC(=O)NN
InChIInChI=1S/C7H11BrN4O/c1-5-6(8)4-10-12(5)3-2-7(13)11-9/h4H,2-3,9H2,1H3,(H,11,13)
InChIKeyJVFMDMXKKHVOQK-UHFFFAOYSA-N
MW247.10 g/mol
LogP0.33
Rot. Bonds3

About 3-(4-bromo-5-methylpyrazol-1-yl)propanehydrazide

3-(4-bromo-5-methylpyrazol-1-yl)propanehydrazide (PubChem CID 7018423) has the molecular formula C7H11BrN4O and a molecular weight of 247.10 g/mol. Its IUPAC name is 3-(4-bromo-5-methylpyrazol-1-yl)propanehydrazide.

Molecular Properties

Compound Name3-(4-bromo-5-methylpyrazol-1-yl)propanehydrazide
PubChem CID7018423
Molecular FormulaC7H11BrN4O
Molecular Weight247.10 g/mol
Exact Mass246.01
IUPAC Name3-(4-bromo-5-methylpyrazol-1-yl)propanehydrazide
SMILESCc1c(Br)cnn1CCC(=O)NN
InChIInChI=1S/C7H11BrN4O/c1-5-6(8)4-10-12(5)3-2-7(13)11-9/h4H,2-3,9H2,1H3,(H,11,13)
InChIKeyJVFMDMXKKHVOQK-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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Related Compounds

4-bromo-1-ethyl-1H-pyrazole-3-carbohydrazide
CID 840889
2-[4-Bromo-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide
CID 19620188
2-[4-Bromo-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide
CID 19620192
3-[4-Bromo-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide
CID 19620196
N-(3-aminopropyl)-3-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19621099
N-(4,6-dimethyl-2-oxohydropyridyl)-3-(4-bromo-5-methylpyrazolyl)propanamide
CID 4774564
2-(4-bromo-3-methyl-1H-pyrazol-1-yl)propanehydrazide
CID 17024696
4-Bromo-1-methyl-1H-pyrazole-3-carboxylic acid hydrazide
CID 605116
4-Bromo-3,5-dimethyl-1H-pyrazole-1-propanoic acid hydrazide
CID 843271
2-(4-Bromo-3-methylpyrazol-1-yl)acetamide
CID 89783003
3-(3-methyl-1H-pyrazol-1-yl)propanehydrazide
CID 4169753
2-(4-Bromo-5-methyl-1H-pyrazol-1-YL)-N-(4-methylpiperazino)acetamide
CID 4770831

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-5-methylpyrazol-1-yl)propanehydrazide?
The IUPAC name of 3-(4-bromo-5-methylpyrazol-1-yl)propanehydrazide (CID 7018423) is 3-(4-bromo-5-methylpyrazol-1-yl)propanehydrazide.
What is the SMILES notation for 3-(4-bromo-5-methylpyrazol-1-yl)propanehydrazide?
The canonical SMILES for 3-(4-bromo-5-methylpyrazol-1-yl)propanehydrazide is Cc1c(Br)cnn1CCC(=O)NN.
What is the InChIKey of 3-(4-bromo-5-methylpyrazol-1-yl)propanehydrazide?
The InChIKey is JVFMDMXKKHVOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN4O/c1-5-6(8)4-10-12(5)3-2-7(13)11-9/h4H,2-3,9H2,1H3,(H,11,13).
What are the key properties of 3-(4-bromo-5-methylpyrazol-1-yl)propanehydrazide?
3-(4-bromo-5-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-5-methylpyrazol-1-yl)propanehydrazide is sourced from PubChem (CID 7018423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).