3-[[3-(5-methyl-1H-imidazol-2-yl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)pyridazin-4-one

C19H18N6O — CID 67342289

IUPAC3-[[3-(5-methyl-1H-imidazol-2-yl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)pyridazin-4-one
SMILESCc1cnc(-c2cccc(Cc3nn(-c4cnn(C)c4)ccc3=O)c2)[nH]1
InChIInChI=1S/C19H18N6O/c1-13-10-20-19(22-13)15-5-3-4-14(8-15)9-17-18(26)6-7-25(23-17)16-11-21-24(2)12-16/h3-8,10-12H,9H2,1-2H3,(H,20,22)
InChIKeyZYSXOYGTSJEGLT-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.26
Rot. Bonds4

About 3-[[3-(5-methyl-1H-imidazol-2-yl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)pyridazin-4-one

3-[[3-(5-methyl-1H-imidazol-2-yl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)pyridazin-4-one (PubChem CID 67342289) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-[[3-(5-methyl-1H-imidazol-2-yl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)pyridazin-4-one.

Molecular Properties

Compound Name3-[[3-(5-methyl-1H-imidazol-2-yl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)pyridazin-4-one
PubChem CID67342289
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name3-[[3-(5-methyl-1H-imidazol-2-yl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)pyridazin-4-one
SMILESCc1cnc(-c2cccc(Cc3nn(-c4cnn(C)c4)ccc3=O)c2)[nH]1
InChIInChI=1S/C19H18N6O/c1-13-10-20-19(22-13)15-5-3-4-14(8-15)9-17-18(26)6-7-25(23-17)16-11-21-24(2)12-16/h3-8,10-12H,9H2,1-2H3,(H,20,22)
InChIKeyZYSXOYGTSJEGLT-UHFFFAOYSA-N
XLogP2.26
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(5-methyl-1H-imidazol-2-yl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)pyridazin-4-one?
The IUPAC name of 3-[[3-(5-methyl-1H-imidazol-2-yl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)pyridazin-4-one (CID 67342289) is 3-[[3-(5-methyl-1H-imidazol-2-yl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)pyridazin-4-one.
What is the SMILES notation for 3-[[3-(5-methyl-1H-imidazol-2-yl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)pyridazin-4-one?
The canonical SMILES for 3-[[3-(5-methyl-1H-imidazol-2-yl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)pyridazin-4-one is Cc1cnc(-c2cccc(Cc3nn(-c4cnn(C)c4)ccc3=O)c2)[nH]1.
What is the InChIKey of 3-[[3-(5-methyl-1H-imidazol-2-yl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)pyridazin-4-one?
The InChIKey is ZYSXOYGTSJEGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-13-10-20-19(22-13)15-5-3-4-14(8-15)9-17-18(26)6-7-25(23-17)16-11-21-24(2)12-16/h3-8,10-12H,9H2,1-2H3,(H,20,22).
What are the key properties of 3-[[3-(5-methyl-1H-imidazol-2-yl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)pyridazin-4-one?
3-[[3-(5-methyl-1H-imidazol-2-yl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)pyridazin-4-one has a molecular weight of 346.39 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(5-methyl-1H-imidazol-2-yl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)pyridazin-4-one is sourced from PubChem (CID 67342289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).