[(4-bromo-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methyl]hydrazine

C13H19BrN4O — CID 105336675

IUPAC[(4-bromo-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methyl]hydrazine
SMILESCCCn1ncc(Br)c1C(NN)c1ccc(CC)o1
InChIInChI=1S/C13H19BrN4O/c1-3-7-18-13(10(14)8-16-18)12(17-15)11-6-5-9(4-2)19-11/h5-6,8,12,17H,3-4,7,15H2,1-2H3
InChIKeyADFUTOITFSFAAE-UHFFFAOYSA-N
MW327.23 g/mol
LogP2.76
Rot. Bonds6

About [(4-bromo-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methyl]hydrazine

[(4-bromo-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methyl]hydrazine (PubChem CID 105336675) has the molecular formula C13H19BrN4O and a molecular weight of 327.23 g/mol. Its IUPAC name is [(4-bromo-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methyl]hydrazine
PubChem CID105336675
Molecular FormulaC13H19BrN4O
Molecular Weight327.23 g/mol
Exact Mass326.07
IUPAC Name[(4-bromo-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methyl]hydrazine
SMILESCCCn1ncc(Br)c1C(NN)c1ccc(CC)o1
InChIInChI=1S/C13H19BrN4O/c1-3-7-18-13(10(14)8-16-18)12(17-15)11-6-5-9(4-2)19-11/h5-6,8,12,17H,3-4,7,15H2,1-2H3
InChIKeyADFUTOITFSFAAE-UHFFFAOYSA-N
XLogP2.76
TPSA69.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methyl]hydrazine?
The IUPAC name of [(4-bromo-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methyl]hydrazine (CID 105336675) is [(4-bromo-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methyl]hydrazine is CCCn1ncc(Br)c1C(NN)c1ccc(CC)o1.
What is the InChIKey of [(4-bromo-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methyl]hydrazine?
The InChIKey is ADFUTOITFSFAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O/c1-3-7-18-13(10(14)8-16-18)12(17-15)11-6-5-9(4-2)19-11/h5-6,8,12,17H,3-4,7,15H2,1-2H3.
What are the key properties of [(4-bromo-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methyl]hydrazine?
[(4-bromo-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methyl]hydrazine has a molecular weight of 327.23 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methyl]hydrazine is sourced from PubChem (CID 105336675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).