5-(5-methoxypyridazin-3-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C18H17N5O3 — CID 67974452

IUPAC5-(5-methoxypyridazin-3-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1cnnc(N2CCn3nc(COc4ccccc4)cc3C2=O)c1
InChIInChI=1S/C18H17N5O3/c1-25-15-10-17(20-19-11-15)22-7-8-23-16(18(22)24)9-13(21-23)12-26-14-5-3-2-4-6-14/h2-6,9-11H,7-8,12H2,1H3
InChIKeyWHCNCBOVSZDMJH-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.92
Rot. Bonds5

About 5-(5-methoxypyridazin-3-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-(5-methoxypyridazin-3-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 67974452) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 5-(5-methoxypyridazin-3-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-(5-methoxypyridazin-3-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID67974452
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name5-(5-methoxypyridazin-3-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1cnnc(N2CCn3nc(COc4ccccc4)cc3C2=O)c1
InChIInChI=1S/C18H17N5O3/c1-25-15-10-17(20-19-11-15)22-7-8-23-16(18(22)24)9-13(21-23)12-26-14-5-3-2-4-6-14/h2-6,9-11H,7-8,12H2,1H3
InChIKeyWHCNCBOVSZDMJH-UHFFFAOYSA-N
XLogP1.92
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxypyridazin-3-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-(5-methoxypyridazin-3-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 67974452) is 5-(5-methoxypyridazin-3-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-(5-methoxypyridazin-3-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-(5-methoxypyridazin-3-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is COc1cnnc(N2CCn3nc(COc4ccccc4)cc3C2=O)c1.
What is the InChIKey of 5-(5-methoxypyridazin-3-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is WHCNCBOVSZDMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-25-15-10-17(20-19-11-15)22-7-8-23-16(18(22)24)9-13(21-23)12-26-14-5-3-2-4-6-14/h2-6,9-11H,7-8,12H2,1H3.
What are the key properties of 5-(5-methoxypyridazin-3-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-(5-methoxypyridazin-3-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 351.37 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxypyridazin-3-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 67974452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).