5-(5-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C19H18N4O2 — CID 67973635

IUPAC5-(5-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(N2CCn3nc(COc4ccccc4)cc3C2=O)nc1
InChIInChI=1S/C19H18N4O2/c1-14-7-8-18(20-12-14)22-9-10-23-17(19(22)24)11-15(21-23)13-25-16-5-3-2-4-6-16/h2-8,11-12H,9-10,13H2,1H3
InChIKeyOAXLZFUNILMPAT-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.83
Rot. Bonds4

About 5-(5-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-(5-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 67973635) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 5-(5-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-(5-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID67973635
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name5-(5-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(N2CCn3nc(COc4ccccc4)cc3C2=O)nc1
InChIInChI=1S/C19H18N4O2/c1-14-7-8-18(20-12-14)22-9-10-23-17(19(22)24)11-15(21-23)13-25-16-5-3-2-4-6-16/h2-8,11-12H,9-10,13H2,1H3
InChIKeyOAXLZFUNILMPAT-UHFFFAOYSA-N
XLogP2.83
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-(5-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 67973635) is 5-(5-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-(5-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-(5-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is Cc1ccc(N2CCn3nc(COc4ccccc4)cc3C2=O)nc1.
What is the InChIKey of 5-(5-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is OAXLZFUNILMPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-14-7-8-18(20-12-14)22-9-10-23-17(19(22)24)11-15(21-23)13-25-16-5-3-2-4-6-16/h2-8,11-12H,9-10,13H2,1H3.
What are the key properties of 5-(5-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-(5-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 334.38 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 67973635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).