1-(2-methylphenyl)-3-(2-phenylpyrazol-3-yl)pyridazin-4-one

C20H16N4O — CID 58072229

IUPAC1-(2-methylphenyl)-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
SMILESCc1ccccc1-n1ccc(=O)c(-c2ccnn2-c2ccccc2)n1
InChIInChI=1S/C20H16N4O/c1-15-7-5-6-10-17(15)23-14-12-19(25)20(22-23)18-11-13-21-24(18)16-8-3-2-4-9-16/h2-14H,1H3
InChIKeyGGHHWUXOACSYIL-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.39
Rot. Bonds3

About 1-(2-methylphenyl)-3-(2-phenylpyrazol-3-yl)pyridazin-4-one

1-(2-methylphenyl)-3-(2-phenylpyrazol-3-yl)pyridazin-4-one (PubChem CID 58072229) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-(2-phenylpyrazol-3-yl)pyridazin-4-one.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
PubChem CID58072229
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name1-(2-methylphenyl)-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
SMILESCc1ccccc1-n1ccc(=O)c(-c2ccnn2-c2ccccc2)n1
InChIInChI=1S/C20H16N4O/c1-15-7-5-6-10-17(15)23-14-12-19(25)20(22-23)18-11-13-21-24(18)16-8-3-2-4-9-16/h2-14H,1H3
InChIKeyGGHHWUXOACSYIL-UHFFFAOYSA-N
XLogP3.39
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The IUPAC name of 1-(2-methylphenyl)-3-(2-phenylpyrazol-3-yl)pyridazin-4-one (CID 58072229) is 1-(2-methylphenyl)-3-(2-phenylpyrazol-3-yl)pyridazin-4-one.
What is the SMILES notation for 1-(2-methylphenyl)-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The canonical SMILES for 1-(2-methylphenyl)-3-(2-phenylpyrazol-3-yl)pyridazin-4-one is Cc1ccccc1-n1ccc(=O)c(-c2ccnn2-c2ccccc2)n1.
What is the InChIKey of 1-(2-methylphenyl)-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The InChIKey is GGHHWUXOACSYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c1-15-7-5-6-10-17(15)23-14-12-19(25)20(22-23)18-11-13-21-24(18)16-8-3-2-4-9-16/h2-14H,1H3.
What are the key properties of 1-(2-methylphenyl)-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
1-(2-methylphenyl)-3-(2-phenylpyrazol-3-yl)pyridazin-4-one has a molecular weight of 328.38 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-(2-phenylpyrazol-3-yl)pyridazin-4-one is sourced from PubChem (CID 58072229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).