5-[(3,5-diethylpyrazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide

C14H20N4O2 — CID 82699513

IUPAC5-[(3,5-diethylpyrazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
SMILESCCc1cc(CC)n(Cc2cc(C(=O)NN)c(C)o2)n1
InChIInChI=1S/C14H20N4O2/c1-4-10-6-11(5-2)18(17-10)8-12-7-13(9(3)20-12)14(19)16-15/h6-7H,4-5,8,15H2,1-3H3,(H,16,19)
InChIKeySTCYMXGHRVPLNN-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.56
Rot. Bonds5

About 5-[(3,5-diethylpyrazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide

5-[(3,5-diethylpyrazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide (PubChem CID 82699513) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-[(3,5-diethylpyrazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound Name5-[(3,5-diethylpyrazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
PubChem CID82699513
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name5-[(3,5-diethylpyrazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
SMILESCCc1cc(CC)n(Cc2cc(C(=O)NN)c(C)o2)n1
InChIInChI=1S/C14H20N4O2/c1-4-10-6-11(5-2)18(17-10)8-12-7-13(9(3)20-12)14(19)16-15/h6-7H,4-5,8,15H2,1-3H3,(H,16,19)
InChIKeySTCYMXGHRVPLNN-UHFFFAOYSA-N
XLogP1.56
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 5-[(3,5-diethylpyrazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide?
The IUPAC name of 5-[(3,5-diethylpyrazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide (CID 82699513) is 5-[(3,5-diethylpyrazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for 5-[(3,5-diethylpyrazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide?
The canonical SMILES for 5-[(3,5-diethylpyrazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide is CCc1cc(CC)n(Cc2cc(C(=O)NN)c(C)o2)n1.
What is the InChIKey of 5-[(3,5-diethylpyrazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide?
The InChIKey is STCYMXGHRVPLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-4-10-6-11(5-2)18(17-10)8-12-7-13(9(3)20-12)14(19)16-15/h6-7H,4-5,8,15H2,1-3H3,(H,16,19).
What are the key properties of 5-[(3,5-diethylpyrazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide?
5-[(3,5-diethylpyrazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide has a molecular weight of 276.34 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-diethylpyrazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 82699513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).