5-(1-benzofuran-2-yl)-1-phenylpyrazole-3-carbohydrazide

C18H14N4O2 — CID 91439501

IUPAC5-(1-benzofuran-2-yl)-1-phenylpyrazole-3-carbohydrazide
SMILESNNC(=O)c1cc(-c2cc3ccccc3o2)n(-c2ccccc2)n1
InChIInChI=1S/C18H14N4O2/c19-20-18(23)14-11-15(22(21-14)13-7-2-1-3-8-13)17-10-12-6-4-5-9-16(12)24-17/h1-11H,19H2,(H,20,23)
InChIKeyOOWPZGPQPGFQFX-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.89
Rot. Bonds3

About 5-(1-benzofuran-2-yl)-1-phenylpyrazole-3-carbohydrazide

5-(1-benzofuran-2-yl)-1-phenylpyrazole-3-carbohydrazide (PubChem CID 91439501) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-1-phenylpyrazole-3-carbohydrazide.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-1-phenylpyrazole-3-carbohydrazide
PubChem CID91439501
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name5-(1-benzofuran-2-yl)-1-phenylpyrazole-3-carbohydrazide
SMILESNNC(=O)c1cc(-c2cc3ccccc3o2)n(-c2ccccc2)n1
InChIInChI=1S/C18H14N4O2/c19-20-18(23)14-11-15(22(21-14)13-7-2-1-3-8-13)17-10-12-6-4-5-9-16(12)24-17/h1-11H,19H2,(H,20,23)
InChIKeyOOWPZGPQPGFQFX-UHFFFAOYSA-N
XLogP2.89
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.89
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-(1-benzofuran-2-yl)-1-phenylpyrazole-3-carbohydrazide?
The IUPAC name of 5-(1-benzofuran-2-yl)-1-phenylpyrazole-3-carbohydrazide (CID 91439501) is 5-(1-benzofuran-2-yl)-1-phenylpyrazole-3-carbohydrazide.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-1-phenylpyrazole-3-carbohydrazide?
The canonical SMILES for 5-(1-benzofuran-2-yl)-1-phenylpyrazole-3-carbohydrazide is NNC(=O)c1cc(-c2cc3ccccc3o2)n(-c2ccccc2)n1.
What is the InChIKey of 5-(1-benzofuran-2-yl)-1-phenylpyrazole-3-carbohydrazide?
The InChIKey is OOWPZGPQPGFQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c19-20-18(23)14-11-15(22(21-14)13-7-2-1-3-8-13)17-10-12-6-4-5-9-16(12)24-17/h1-11H,19H2,(H,20,23).
What are the key properties of 5-(1-benzofuran-2-yl)-1-phenylpyrazole-3-carbohydrazide?
5-(1-benzofuran-2-yl)-1-phenylpyrazole-3-carbohydrazide has a molecular weight of 318.34 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-yl)-1-phenylpyrazole-3-carbohydrazide is sourced from PubChem (CID 91439501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).