2-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzofuran-3-carbohydrazide

C14H14N4O3 — CID 116793806

IUPAC2-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzofuran-3-carbohydrazide
SMILESCn1cc(OCc2oc3ccccc3c2C(=O)NN)cn1
InChIInChI=1S/C14H14N4O3/c1-18-7-9(6-16-18)20-8-12-13(14(19)17-15)10-4-2-3-5-11(10)21-12/h2-7H,8,15H2,1H3,(H,17,19)
InChIKeyGAFXGGSWLCLIKO-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.35
Rot. Bonds4

About 2-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzofuran-3-carbohydrazide

2-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzofuran-3-carbohydrazide (PubChem CID 116793806) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzofuran-3-carbohydrazide.

Molecular Properties

Compound Name2-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzofuran-3-carbohydrazide
PubChem CID116793806
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name2-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzofuran-3-carbohydrazide
SMILESCn1cc(OCc2oc3ccccc3c2C(=O)NN)cn1
InChIInChI=1S/C14H14N4O3/c1-18-7-9(6-16-18)20-8-12-13(14(19)17-15)10-4-2-3-5-11(10)21-12/h2-7H,8,15H2,1H3,(H,17,19)
InChIKeyGAFXGGSWLCLIKO-UHFFFAOYSA-N
XLogP1.35
TPSA95.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 2-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzofuran-3-carbohydrazide?
The IUPAC name of 2-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzofuran-3-carbohydrazide (CID 116793806) is 2-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzofuran-3-carbohydrazide.
What is the SMILES notation for 2-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzofuran-3-carbohydrazide?
The canonical SMILES for 2-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzofuran-3-carbohydrazide is Cn1cc(OCc2oc3ccccc3c2C(=O)NN)cn1.
What is the InChIKey of 2-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzofuran-3-carbohydrazide?
The InChIKey is GAFXGGSWLCLIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-18-7-9(6-16-18)20-8-12-13(14(19)17-15)10-4-2-3-5-11(10)21-12/h2-7H,8,15H2,1H3,(H,17,19).
What are the key properties of 2-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzofuran-3-carbohydrazide?
2-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzofuran-3-carbohydrazide has a molecular weight of 286.29 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzofuran-3-carbohydrazide is sourced from PubChem (CID 116793806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).