5-[3,3-dimethyl-2-(methylamino)butyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one

C14H22N4O — CID 104734844

IUPAC5-[3,3-dimethyl-2-(methylamino)butyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
SMILESCNC(Cn1ccn2nc(C)cc2c1=O)C(C)(C)C
InChIInChI=1S/C14H22N4O/c1-10-8-11-13(19)17(6-7-18(11)16-10)9-12(15-5)14(2,3)4/h6-8,12,15H,9H2,1-5H3
InChIKeyGOFQOTLKVCRRPG-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.44
Rot. Bonds3

About 5-[3,3-dimethyl-2-(methylamino)butyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one

5-[3,3-dimethyl-2-(methylamino)butyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one (PubChem CID 104734844) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-[3,3-dimethyl-2-(methylamino)butyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[3,3-dimethyl-2-(methylamino)butyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
PubChem CID104734844
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name5-[3,3-dimethyl-2-(methylamino)butyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
SMILESCNC(Cn1ccn2nc(C)cc2c1=O)C(C)(C)C
InChIInChI=1S/C14H22N4O/c1-10-8-11-13(19)17(6-7-18(11)16-10)9-12(15-5)14(2,3)4/h6-8,12,15H,9H2,1-5H3
InChIKeyGOFQOTLKVCRRPG-UHFFFAOYSA-N
XLogP1.44
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-hydroxy-3,3-dimethylbutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104735275
2-methyl-5-[3-methyl-2-(methylamino)pentyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104734849
5-(2-aminopropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734809
2-methyl-5-[2-methyl-3-(propan-2-ylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735168
2-methyl-5-[2-(3-methylbutylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735453
2-methyl-5-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104748234
2,2-dimethyl-3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanoic acid
CID 104734666
5-[2-cyclopentyl-2-(ethylamino)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104748238
2-methyl-5-[4-(propan-2-ylamino)butyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735472
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-[3,3-dimethyl-2-(methylamino)butyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[3,3-dimethyl-2-(methylamino)butyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one (CID 104734844) is 5-[3,3-dimethyl-2-(methylamino)butyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[3,3-dimethyl-2-(methylamino)butyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[3,3-dimethyl-2-(methylamino)butyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one is CNC(Cn1ccn2nc(C)cc2c1=O)C(C)(C)C.
What is the InChIKey of 5-[3,3-dimethyl-2-(methylamino)butyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is GOFQOTLKVCRRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10-8-11-13(19)17(6-7-18(11)16-10)9-12(15-5)14(2,3)4/h6-8,12,15H,9H2,1-5H3.
What are the key properties of 5-[3,3-dimethyl-2-(methylamino)butyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one?
5-[3,3-dimethyl-2-(methylamino)butyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 262.36 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,3-dimethyl-2-(methylamino)butyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 104734844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).