3-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-1H-pyridazin-6-one

C17H12N4O2 — CID 135890953

IUPAC3-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-1H-pyridazin-6-one
SMILESO=c1ccc(-c2c(-c3ccccc3)n[nH]c2-c2ccco2)n[nH]1
InChIInChI=1S/C17H12N4O2/c22-14-9-8-12(18-19-14)15-16(11-5-2-1-3-6-11)20-21-17(15)13-7-4-10-23-13/h1-10H,(H,19,22)(H,20,21)
InChIKeyIEEZTDBSZKTXDW-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.09
Rot. Bonds3

About 3-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-1H-pyridazin-6-one

3-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-1H-pyridazin-6-one (PubChem CID 135890953) has the molecular formula C17H12N4O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 3-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-1H-pyridazin-6-one
PubChem CID135890953
Molecular FormulaC17H12N4O2
Molecular Weight304.31 g/mol
Exact Mass304.10
IUPAC Name3-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-1H-pyridazin-6-one
SMILESO=c1ccc(-c2c(-c3ccccc3)n[nH]c2-c2ccco2)n[nH]1
InChIInChI=1S/C17H12N4O2/c22-14-9-8-12(18-19-14)15-16(11-5-2-1-3-6-11)20-21-17(15)13-7-4-10-23-13/h1-10H,(H,19,22)(H,20,21)
InChIKeyIEEZTDBSZKTXDW-UHFFFAOYSA-N
XLogP3.09
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-1H-pyridazin-6-one?
The IUPAC name of 3-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-1H-pyridazin-6-one (CID 135890953) is 3-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-1H-pyridazin-6-one is O=c1ccc(-c2c(-c3ccccc3)n[nH]c2-c2ccco2)n[nH]1.
What is the InChIKey of 3-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-1H-pyridazin-6-one?
The InChIKey is IEEZTDBSZKTXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2/c22-14-9-8-12(18-19-14)15-16(11-5-2-1-3-6-11)20-21-17(15)13-7-4-10-23-13/h1-10H,(H,19,22)(H,20,21).
What are the key properties of 3-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-1H-pyridazin-6-one?
3-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-1H-pyridazin-6-one has a molecular weight of 304.31 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 135890953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).