methyl 3-hydroxy-5,7-dimethyl-4-oxopyrazolo[1,5-a]pyrazine-2-carboxylate

C10H11N3O4 — CID 68954184

IUPACmethyl 3-hydroxy-5,7-dimethyl-4-oxopyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCOC(=O)c1nn2c(C)cn(C)c(=O)c2c1O
InChIInChI=1S/C10H11N3O4/c1-5-4-12(2)9(15)7-8(14)6(10(16)17-3)11-13(5)7/h4,14H,1-3H3
InChIKeyLKMLQLFQVSFJCI-UHFFFAOYSA-N
MW237.22 g/mol
LogP-0.17
Rot. Bonds1

About methyl 3-hydroxy-5,7-dimethyl-4-oxopyrazolo[1,5-a]pyrazine-2-carboxylate

methyl 3-hydroxy-5,7-dimethyl-4-oxopyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 68954184) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is methyl 3-hydroxy-5,7-dimethyl-4-oxopyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxy-5,7-dimethyl-4-oxopyrazolo[1,5-a]pyrazine-2-carboxylate
PubChem CID68954184
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC Namemethyl 3-hydroxy-5,7-dimethyl-4-oxopyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCOC(=O)c1nn2c(C)cn(C)c(=O)c2c1O
InChIInChI=1S/C10H11N3O4/c1-5-4-12(2)9(15)7-8(14)6(10(16)17-3)11-13(5)7/h4,14H,1-3H3
InChIKeyLKMLQLFQVSFJCI-UHFFFAOYSA-N
XLogP-0.17
TPSA85.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-5,7-dimethyl-4-oxopyrazolo[1,5-a]pyrazine-2-carboxylate?
The IUPAC name of methyl 3-hydroxy-5,7-dimethyl-4-oxopyrazolo[1,5-a]pyrazine-2-carboxylate (CID 68954184) is methyl 3-hydroxy-5,7-dimethyl-4-oxopyrazolo[1,5-a]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-hydroxy-5,7-dimethyl-4-oxopyrazolo[1,5-a]pyrazine-2-carboxylate?
The canonical SMILES for methyl 3-hydroxy-5,7-dimethyl-4-oxopyrazolo[1,5-a]pyrazine-2-carboxylate is COC(=O)c1nn2c(C)cn(C)c(=O)c2c1O.
What is the InChIKey of methyl 3-hydroxy-5,7-dimethyl-4-oxopyrazolo[1,5-a]pyrazine-2-carboxylate?
The InChIKey is LKMLQLFQVSFJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c1-5-4-12(2)9(15)7-8(14)6(10(16)17-3)11-13(5)7/h4,14H,1-3H3.
What are the key properties of methyl 3-hydroxy-5,7-dimethyl-4-oxopyrazolo[1,5-a]pyrazine-2-carboxylate?
methyl 3-hydroxy-5,7-dimethyl-4-oxopyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 237.22 g/mol, XLogP of -0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-5,7-dimethyl-4-oxopyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 68954184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).