2-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]acetamide

C17H17N5O2 — CID 53307260

IUPAC2-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]acetamide
SMILESCn1cc(-n2ccc(=O)c(Cc3cccc(CC(N)=O)c3)n2)cn1
InChIInChI=1S/C17H17N5O2/c1-21-11-14(10-19-21)22-6-5-16(23)15(20-22)8-12-3-2-4-13(7-12)9-17(18)24/h2-7,10-11H,8-9H2,1H3,(H2,18,24)
InChIKeyIZCRCYZCYLUMBC-UHFFFAOYSA-N
MW323.36 g/mol
LogP0.58
Rot. Bonds5

About 2-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]acetamide

2-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]acetamide (PubChem CID 53307260) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]acetamide
PubChem CID53307260
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name2-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]acetamide
SMILESCn1cc(-n2ccc(=O)c(Cc3cccc(CC(N)=O)c3)n2)cn1
InChIInChI=1S/C17H17N5O2/c1-21-11-14(10-19-21)22-6-5-16(23)15(20-22)8-12-3-2-4-13(7-12)9-17(18)24/h2-7,10-11H,8-9H2,1H3,(H2,18,24)
InChIKeyIZCRCYZCYLUMBC-UHFFFAOYSA-N
XLogP0.58
TPSA95.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]acetamide?
The IUPAC name of 2-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]acetamide (CID 53307260) is 2-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]acetamide.
What is the SMILES notation for 2-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]acetamide?
The canonical SMILES for 2-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]acetamide is Cn1cc(-n2ccc(=O)c(Cc3cccc(CC(N)=O)c3)n2)cn1.
What is the InChIKey of 2-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]acetamide?
The InChIKey is IZCRCYZCYLUMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-21-11-14(10-19-21)22-6-5-16(23)15(20-22)8-12-3-2-4-13(7-12)9-17(18)24/h2-7,10-11H,8-9H2,1H3,(H2,18,24).
What are the key properties of 2-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]acetamide?
2-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]acetamide has a molecular weight of 323.36 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 53307260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).