3-[2-(4-methylphenyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one

C19H15N5O — CID 46873186

IUPAC3-[2-(4-methylphenyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one
SMILESCc1ccc(-n2nccc2-c2nn(-c3ccncc3)ccc2=O)cc1
InChIInChI=1S/C19H15N5O/c1-14-2-4-16(5-3-14)24-17(8-12-21-24)19-18(25)9-13-23(22-19)15-6-10-20-11-7-15/h2-13H,1H3
InChIKeyPMZGTRUWJNHZMU-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.79
Rot. Bonds3

About 3-[2-(4-methylphenyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one

3-[2-(4-methylphenyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one (PubChem CID 46873186) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-[2-(4-methylphenyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one.

Molecular Properties

Compound Name3-[2-(4-methylphenyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one
PubChem CID46873186
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name3-[2-(4-methylphenyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one
SMILESCc1ccc(-n2nccc2-c2nn(-c3ccncc3)ccc2=O)cc1
InChIInChI=1S/C19H15N5O/c1-14-2-4-16(5-3-14)24-17(8-12-21-24)19-18(25)9-13-23(22-19)15-6-10-20-11-7-15/h2-13H,1H3
InChIKeyPMZGTRUWJNHZMU-UHFFFAOYSA-N
XLogP2.79
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylphenyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one?
The IUPAC name of 3-[2-(4-methylphenyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one (CID 46873186) is 3-[2-(4-methylphenyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one.
What is the SMILES notation for 3-[2-(4-methylphenyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one?
The canonical SMILES for 3-[2-(4-methylphenyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one is Cc1ccc(-n2nccc2-c2nn(-c3ccncc3)ccc2=O)cc1.
What is the InChIKey of 3-[2-(4-methylphenyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one?
The InChIKey is PMZGTRUWJNHZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c1-14-2-4-16(5-3-14)24-17(8-12-21-24)19-18(25)9-13-23(22-19)15-6-10-20-11-7-15/h2-13H,1H3.
What are the key properties of 3-[2-(4-methylphenyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one?
3-[2-(4-methylphenyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one has a molecular weight of 329.36 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylphenyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one is sourced from PubChem (CID 46873186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).