2-[5-[hydroxy(phenyl)methyl]-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C20H20N8O2 — CID 146043250

IUPAC2-[5-[hydroxy(phenyl)methyl]-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCN1CCn2nc(-c3nc(C(O)c4ccccc4)nn3-c3ccnn3C)cc2C1=O
InChIInChI=1S/C20H20N8O2/c1-25-10-11-27-15(20(25)30)12-14(23-27)19-22-18(17(29)13-6-4-3-5-7-13)24-28(19)16-8-9-21-26(16)2/h3-9,12,17,29H,10-11H2,1-2H3
InChIKeyOVNGKJFUEKOMLK-UHFFFAOYSA-N
MW404.43 g/mol
LogP1.03
Rot. Bonds4

About 2-[5-[hydroxy(phenyl)methyl]-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

2-[5-[hydroxy(phenyl)methyl]-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 146043250) has the molecular formula C20H20N8O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is 2-[5-[hydroxy(phenyl)methyl]-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[5-[hydroxy(phenyl)methyl]-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID146043250
Molecular FormulaC20H20N8O2
Molecular Weight404.43 g/mol
Exact Mass404.17
IUPAC Name2-[5-[hydroxy(phenyl)methyl]-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCN1CCn2nc(-c3nc(C(O)c4ccccc4)nn3-c3ccnn3C)cc2C1=O
InChIInChI=1S/C20H20N8O2/c1-25-10-11-27-15(20(25)30)12-14(23-27)19-22-18(17(29)13-6-4-3-5-7-13)24-28(19)16-8-9-21-26(16)2/h3-9,12,17,29H,10-11H2,1-2H3
InChIKeyOVNGKJFUEKOMLK-UHFFFAOYSA-N
XLogP1.03
TPSA106.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[hydroxy(phenyl)methyl]-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[5-[hydroxy(phenyl)methyl]-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 146043250) is 2-[5-[hydroxy(phenyl)methyl]-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[5-[hydroxy(phenyl)methyl]-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[5-[hydroxy(phenyl)methyl]-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is CN1CCn2nc(-c3nc(C(O)c4ccccc4)nn3-c3ccnn3C)cc2C1=O.
What is the InChIKey of 2-[5-[hydroxy(phenyl)methyl]-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is OVNGKJFUEKOMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O2/c1-25-10-11-27-15(20(25)30)12-14(23-27)19-22-18(17(29)13-6-4-3-5-7-13)24-28(19)16-8-9-21-26(16)2/h3-9,12,17,29H,10-11H2,1-2H3.
What are the key properties of 2-[5-[hydroxy(phenyl)methyl]-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
2-[5-[hydroxy(phenyl)methyl]-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 404.43 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[hydroxy(phenyl)methyl]-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 146043250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).