methyl 4-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoate

C12H15N3O3 — CID 104734631

IUPACmethyl 4-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoate
SMILESCOC(=O)CCCn1ccn2nc(C)cc2c1=O
InChIInChI=1S/C12H15N3O3/c1-9-8-10-12(17)14(6-7-15(10)13-9)5-3-4-11(16)18-2/h6-8H,3-5H2,1-2H3
InChIKeyLEKNUXWDVVAQLQ-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.76
Rot. Bonds4

About methyl 4-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoate

methyl 4-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoate (PubChem CID 104734631) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is methyl 4-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoate.

Molecular Properties

Compound Namemethyl 4-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoate
PubChem CID104734631
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Namemethyl 4-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoate
SMILESCOC(=O)CCCn1ccn2nc(C)cc2c1=O
InChIInChI=1S/C12H15N3O3/c1-9-8-10-12(17)14(6-7-15(10)13-9)5-3-4-11(16)18-2/h6-8H,3-5H2,1-2H3
InChIKeyLEKNUXWDVVAQLQ-UHFFFAOYSA-N
XLogP0.76
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-chloropentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734713
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
5-(4-hydroxyhexyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 106802608
ethyl 5-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)-4-oxopentanoate
CID 103484835
methyl 4-(4-methyl-2,3-dioxopyrazin-1-yl)butanoate
CID 62929432
2,2-dimethyl-3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanoic acid
CID 104734666
5-[3-(cyclohexylamino)propyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104735476
1-[2-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)ethyl]triazole-4-carboxylic acid
CID 104734629
2-methyl-5-[2-(3-methylbutylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735453
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

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoate?
The IUPAC name of methyl 4-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoate (CID 104734631) is methyl 4-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoate.
What is the SMILES notation for methyl 4-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoate?
The canonical SMILES for methyl 4-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoate is COC(=O)CCCn1ccn2nc(C)cc2c1=O.
What is the InChIKey of methyl 4-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoate?
The InChIKey is LEKNUXWDVVAQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-9-8-10-12(17)14(6-7-15(10)13-9)5-3-4-11(16)18-2/h6-8H,3-5H2,1-2H3.
What are the key properties of methyl 4-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoate?
methyl 4-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoate has a molecular weight of 249.27 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoate is sourced from PubChem (CID 104734631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).