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

C14H17N3O4 — CID 103484835

IUPACethyl 5-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)Cn1ccn2nc(C)cc2c1=O
InChIInChI=1S/C14H17N3O4/c1-3-21-13(19)5-4-11(18)9-16-6-7-17-12(14(16)20)8-10(2)15-17/h6-8H,3-5,9H2,1-2H3
InChIKeyUDZLIERMKHQAJN-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.72
Rot. Bonds6

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

ethyl 5-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)-4-oxopentanoate (PubChem CID 103484835) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is ethyl 5-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)-4-oxopentanoate
PubChem CID103484835
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Nameethyl 5-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)Cn1ccn2nc(C)cc2c1=O
InChIInChI=1S/C14H17N3O4/c1-3-21-13(19)5-4-11(18)9-16-6-7-17-12(14(16)20)8-10(2)15-17/h6-8H,3-5,9H2,1-2H3
InChIKeyUDZLIERMKHQAJN-UHFFFAOYSA-N
XLogP0.72
TPSA82.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoate
CID 104734631
2,2-dimethyl-3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanoic acid
CID 104734666
ethyl 5-(4-methyl-2-oxopyrimidin-1-yl)-4-oxopentanoate
CID 114217409
5-(2-cyclopentyl-2-oxoethyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104751672
2-methyl-5-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735086
5-(2-aminopropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734809
ethyl 3-[methyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate
CID 113446561
ethyl 5-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-4-oxopentanoate
CID 103484823
5-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104735096
2-methyl-5-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrazolo[1,5-a]pyrazin-4-one
CID 103073030
5-(2-hydroxy-3,3-dimethylbutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104735275
5-(4-hydroxyhexyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 106802608

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)-4-oxopentanoate?
The IUPAC name of ethyl 5-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)-4-oxopentanoate (CID 103484835) is ethyl 5-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)-4-oxopentanoate.
What is the SMILES notation for ethyl 5-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)-4-oxopentanoate?
The canonical SMILES for ethyl 5-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)-4-oxopentanoate is CCOC(=O)CCC(=O)Cn1ccn2nc(C)cc2c1=O.
What is the InChIKey of ethyl 5-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)-4-oxopentanoate?
The InChIKey is UDZLIERMKHQAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-3-21-13(19)5-4-11(18)9-16-6-7-17-12(14(16)20)8-10(2)15-17/h6-8H,3-5,9H2,1-2H3.
What are the key properties of ethyl 5-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)-4-oxopentanoate?
ethyl 5-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)-4-oxopentanoate has a molecular weight of 291.31 g/mol, XLogP of 0.72, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)-4-oxopentanoate is sourced from PubChem (CID 103484835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).