2-methyl-5-[2-(3-methylbutylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one

C14H22N4O — CID 104735453

IUPAC2-methyl-5-[2-(3-methylbutylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc2c(=O)n(CCNCCC(C)C)ccn2n1
InChIInChI=1S/C14H22N4O/c1-11(2)4-5-15-6-7-17-8-9-18-13(14(17)19)10-12(3)16-18/h8-11,15H,4-7H2,1-3H3
InChIKeyITBCMYOIQLSNIJ-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.44
Rot. Bonds6

About 2-methyl-5-[2-(3-methylbutylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one

2-methyl-5-[2-(3-methylbutylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 104735453) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-methyl-5-[2-(3-methylbutylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-methyl-5-[2-(3-methylbutylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID104735453
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-methyl-5-[2-(3-methylbutylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc2c(=O)n(CCNCCC(C)C)ccn2n1
InChIInChI=1S/C14H22N4O/c1-11(2)4-5-15-6-7-17-8-9-18-13(14(17)19)10-12(3)16-18/h8-11,15H,4-7H2,1-3H3
InChIKeyITBCMYOIQLSNIJ-UHFFFAOYSA-N
XLogP1.44
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-(2-methoxyethylamino)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 113446803
2-methyl-5-[4-(propan-2-ylamino)butyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735472
5-[3-(ethylamino)propyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734854
2-methyl-5-[2-(2-thiophen-2-ylethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735481
5-[2-[(4-bromothiophen-2-yl)methylamino]ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104735465
5-(2-aminopropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734809
5-(4-hydroxyhexyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 106802608
3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanenitrile
CID 104734922
5-(5-chloropentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734713
5-[3,3-dimethyl-2-(methylamino)butyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734844
2-methyl-5-[2-methyl-3-(propan-2-ylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735168
5-(2-hydroxy-3,3-dimethylbutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104735275

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-(3-methylbutylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-methyl-5-[2-(3-methylbutylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one (CID 104735453) is 2-methyl-5-[2-(3-methylbutylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-methyl-5-[2-(3-methylbutylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-methyl-5-[2-(3-methylbutylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one is Cc1cc2c(=O)n(CCNCCC(C)C)ccn2n1.
What is the InChIKey of 2-methyl-5-[2-(3-methylbutylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is ITBCMYOIQLSNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-11(2)4-5-15-6-7-17-8-9-18-13(14(17)19)10-12(3)16-18/h8-11,15H,4-7H2,1-3H3.
What are the key properties of 2-methyl-5-[2-(3-methylbutylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
2-methyl-5-[2-(3-methylbutylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 262.36 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(3-methylbutylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 104735453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).