5-(2-hydroxy-3,3-dimethylbutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one

C13H19N3O2 — CID 104735275

IUPAC5-(2-hydroxy-3,3-dimethylbutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc2c(=O)n(CC(O)C(C)(C)C)ccn2n1
InChIInChI=1S/C13H19N3O2/c1-9-7-10-12(18)15(5-6-16(10)14-9)8-11(17)13(2,3)4/h5-7,11,17H,8H2,1-4H3
InChIKeyVILNKSPMVNBUDZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.21
Rot. Bonds2

About 5-(2-hydroxy-3,3-dimethylbutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one

5-(2-hydroxy-3,3-dimethylbutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one (PubChem CID 104735275) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-(2-hydroxy-3,3-dimethylbutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-(2-hydroxy-3,3-dimethylbutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
PubChem CID104735275
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-(2-hydroxy-3,3-dimethylbutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc2c(=O)n(CC(O)C(C)(C)C)ccn2n1
InChIInChI=1S/C13H19N3O2/c1-9-7-10-12(18)15(5-6-16(10)14-9)8-11(17)13(2,3)4/h5-7,11,17H,8H2,1-4H3
InChIKeyVILNKSPMVNBUDZ-UHFFFAOYSA-N
XLogP1.21
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3,3-dimethyl-2-(methylamino)butyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734844
5-(2-aminopropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734809
2,2-dimethyl-3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanoic acid
CID 104734666
2-methyl-5-[2-methyl-3-(propan-2-ylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735168
5-(4-hydroxyhexyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 106802608
2-methyl-5-[3-methyl-2-(methylamino)pentyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104734849
2-methyl-5-[2-(3-methylbutylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735453
5-[2-cyclopentyl-2-(ethylamino)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104748238
1-(2-hydroxy-3,3-dimethylbutyl)-3-methylpyridin-2-one
CID 63172888
3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanenitrile
CID 104734922
5-[3-(ethylamino)propyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734854
5-(5-chloropentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734713

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-3,3-dimethylbutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-(2-hydroxy-3,3-dimethylbutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one (CID 104735275) is 5-(2-hydroxy-3,3-dimethylbutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-(2-hydroxy-3,3-dimethylbutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-(2-hydroxy-3,3-dimethylbutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one is Cc1cc2c(=O)n(CC(O)C(C)(C)C)ccn2n1.
What is the InChIKey of 5-(2-hydroxy-3,3-dimethylbutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is VILNKSPMVNBUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-7-10-12(18)15(5-6-16(10)14-9)8-11(17)13(2,3)4/h5-7,11,17H,8H2,1-4H3.
What are the key properties of 5-(2-hydroxy-3,3-dimethylbutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one?
5-(2-hydroxy-3,3-dimethylbutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 249.31 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-3,3-dimethylbutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 104735275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).