1-(1-methylpyrazol-4-yl)-3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pyridazin-4-one

C18H15N5OS — CID 53308325

IUPAC1-(1-methylpyrazol-4-yl)-3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pyridazin-4-one
SMILESCn1cc(-n2ccc(=O)c(Cc3cccc(-c4nccs4)c3)n2)cn1
InChIInChI=1S/C18H15N5OS/c1-22-12-15(11-20-22)23-7-5-17(24)16(21-23)10-13-3-2-4-14(9-13)18-19-6-8-25-18/h2-9,11-12H,10H2,1H3
InChIKeyYZAKRVSOQNMMQE-UHFFFAOYSA-N
MW349.42 g/mol
LogP2.68
Rot. Bonds4

About 1-(1-methylpyrazol-4-yl)-3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pyridazin-4-one

1-(1-methylpyrazol-4-yl)-3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pyridazin-4-one (PubChem CID 53308325) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pyridazin-4-one.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pyridazin-4-one
PubChem CID53308325
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC Name1-(1-methylpyrazol-4-yl)-3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pyridazin-4-one
SMILESCn1cc(-n2ccc(=O)c(Cc3cccc(-c4nccs4)c3)n2)cn1
InChIInChI=1S/C18H15N5OS/c1-22-12-15(11-20-22)23-7-5-17(24)16(21-23)10-13-3-2-4-14(9-13)18-19-6-8-25-18/h2-9,11-12H,10H2,1H3
InChIKeyYZAKRVSOQNMMQE-UHFFFAOYSA-N
XLogP2.68
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pyridazin-4-one?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pyridazin-4-one (CID 53308325) is 1-(1-methylpyrazol-4-yl)-3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pyridazin-4-one.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pyridazin-4-one?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pyridazin-4-one is Cn1cc(-n2ccc(=O)c(Cc3cccc(-c4nccs4)c3)n2)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pyridazin-4-one?
The InChIKey is YZAKRVSOQNMMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS/c1-22-12-15(11-20-22)23-7-5-17(24)16(21-23)10-13-3-2-4-14(9-13)18-19-6-8-25-18/h2-9,11-12H,10H2,1H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pyridazin-4-one?
1-(1-methylpyrazol-4-yl)-3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pyridazin-4-one has a molecular weight of 349.42 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pyridazin-4-one is sourced from PubChem (CID 53308325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).