4-bromo-1-methylpyrazole-3-carbohydrazide

C5H7BrN4O — CID 605116

IUPAC4-bromo-1-methylpyrazole-3-carbohydrazide
SMILESCn1cc(Br)c(C(=O)NN)n1
InChIInChI=1S/C5H7BrN4O/c1-10-2-3(6)4(9-10)5(11)8-7/h2H,7H2,1H3,(H,8,11)
InChIKeyJINYGSMERXPQMD-UHFFFAOYSA-N
MW219.04 g/mol
LogP-0.21
Rot. Bonds1

About 4-bromo-1-methylpyrazole-3-carbohydrazide

4-bromo-1-methylpyrazole-3-carbohydrazide (PubChem CID 605116) has the molecular formula C5H7BrN4O and a molecular weight of 219.04 g/mol. Its IUPAC name is 4-bromo-1-methylpyrazole-3-carbohydrazide.

Molecular Properties

Compound Name4-bromo-1-methylpyrazole-3-carbohydrazide
PubChem CID605116
Molecular FormulaC5H7BrN4O
Molecular Weight219.04 g/mol
Exact Mass217.98
IUPAC Name4-bromo-1-methylpyrazole-3-carbohydrazide
SMILESCn1cc(Br)c(C(=O)NN)n1
InChIInChI=1S/C5H7BrN4O/c1-10-2-3(6)4(9-10)5(11)8-7/h2H,7H2,1H3,(H,8,11)
InChIKeyJINYGSMERXPQMD-UHFFFAOYSA-N
XLogP-0.21
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.04
LogP ≤ 5-0.21
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-methylpyrazole-3-carbohydrazide?
The IUPAC name of 4-bromo-1-methylpyrazole-3-carbohydrazide (CID 605116) is 4-bromo-1-methylpyrazole-3-carbohydrazide.
What is the SMILES notation for 4-bromo-1-methylpyrazole-3-carbohydrazide?
The canonical SMILES for 4-bromo-1-methylpyrazole-3-carbohydrazide is Cn1cc(Br)c(C(=O)NN)n1.
What is the InChIKey of 4-bromo-1-methylpyrazole-3-carbohydrazide?
The InChIKey is JINYGSMERXPQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN4O/c1-10-2-3(6)4(9-10)5(11)8-7/h2H,7H2,1H3,(H,8,11).
What are the key properties of 4-bromo-1-methylpyrazole-3-carbohydrazide?
4-bromo-1-methylpyrazole-3-carbohydrazide has a molecular weight of 219.04 g/mol, XLogP of -0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methylpyrazole-3-carbohydrazide is sourced from PubChem (CID 605116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).