4-acetyl-6-methylidene-2,5-diphenyl-1,3a-dihydropyrazolo[4,3-c]pyridazin-3-one

C20H18N4O2 — CID 71437215

IUPAC4-acetyl-6-methylidene-2,5-diphenyl-1,3a-dihydropyrazolo[4,3-c]pyridazin-3-one
SMILESC=C1C=C2NN(c3ccccc3)C(=O)C2N(C(C)=O)N1c1ccccc1
InChIInChI=1S/C20H18N4O2/c1-14-13-18-19(20(26)22(21-18)16-9-5-3-6-10-16)24(15(2)25)23(14)17-11-7-4-8-12-17/h3-13,19,21H,1H2,2H3
InChIKeyUZOFXWVAHCLQMI-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.59
Rot. Bonds2

About 4-acetyl-6-methylidene-2,5-diphenyl-1,3a-dihydropyrazolo[4,3-c]pyridazin-3-one

4-acetyl-6-methylidene-2,5-diphenyl-1,3a-dihydropyrazolo[4,3-c]pyridazin-3-one (PubChem CID 71437215) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-acetyl-6-methylidene-2,5-diphenyl-1,3a-dihydropyrazolo[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name4-acetyl-6-methylidene-2,5-diphenyl-1,3a-dihydropyrazolo[4,3-c]pyridazin-3-one
PubChem CID71437215
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name4-acetyl-6-methylidene-2,5-diphenyl-1,3a-dihydropyrazolo[4,3-c]pyridazin-3-one
SMILESC=C1C=C2NN(c3ccccc3)C(=O)C2N(C(C)=O)N1c1ccccc1
InChIInChI=1S/C20H18N4O2/c1-14-13-18-19(20(26)22(21-18)16-9-5-3-6-10-16)24(15(2)25)23(14)17-11-7-4-8-12-17/h3-13,19,21H,1H2,2H3
InChIKeyUZOFXWVAHCLQMI-UHFFFAOYSA-N
XLogP2.59
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-6-methylidene-2,5-diphenyl-1,3a-dihydropyrazolo[4,3-c]pyridazin-3-one?
The IUPAC name of 4-acetyl-6-methylidene-2,5-diphenyl-1,3a-dihydropyrazolo[4,3-c]pyridazin-3-one (CID 71437215) is 4-acetyl-6-methylidene-2,5-diphenyl-1,3a-dihydropyrazolo[4,3-c]pyridazin-3-one.
What is the SMILES notation for 4-acetyl-6-methylidene-2,5-diphenyl-1,3a-dihydropyrazolo[4,3-c]pyridazin-3-one?
The canonical SMILES for 4-acetyl-6-methylidene-2,5-diphenyl-1,3a-dihydropyrazolo[4,3-c]pyridazin-3-one is C=C1C=C2NN(c3ccccc3)C(=O)C2N(C(C)=O)N1c1ccccc1.
What is the InChIKey of 4-acetyl-6-methylidene-2,5-diphenyl-1,3a-dihydropyrazolo[4,3-c]pyridazin-3-one?
The InChIKey is UZOFXWVAHCLQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-14-13-18-19(20(26)22(21-18)16-9-5-3-6-10-16)24(15(2)25)23(14)17-11-7-4-8-12-17/h3-13,19,21H,1H2,2H3.
What are the key properties of 4-acetyl-6-methylidene-2,5-diphenyl-1,3a-dihydropyrazolo[4,3-c]pyridazin-3-one?
4-acetyl-6-methylidene-2,5-diphenyl-1,3a-dihydropyrazolo[4,3-c]pyridazin-3-one has a molecular weight of 346.39 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-6-methylidene-2,5-diphenyl-1,3a-dihydropyrazolo[4,3-c]pyridazin-3-one is sourced from PubChem (CID 71437215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).