methyl 2-methyl-3-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-5-carboxylate

C9H13N3O3 — CID 105464797

IUPACmethyl 2-methyl-3-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-5-carboxylate
SMILESCOC(=O)C1Cc2c([nH]n(C)c2=O)CN1
InChIInChI=1S/C9H13N3O3/c1-12-8(13)5-3-6(9(14)15-2)10-4-7(5)11-12/h6,10-11H,3-4H2,1-2H3
InChIKeySKXLKJHVIOHHRW-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.10
Rot. Bonds1

About methyl 2-methyl-3-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-5-carboxylate

methyl 2-methyl-3-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-5-carboxylate (PubChem CID 105464797) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is methyl 2-methyl-3-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-3-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-5-carboxylate
PubChem CID105464797
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Namemethyl 2-methyl-3-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-5-carboxylate
SMILESCOC(=O)C1Cc2c([nH]n(C)c2=O)CN1
InChIInChI=1S/C9H13N3O3/c1-12-8(13)5-3-6(9(14)15-2)10-4-7(5)11-12/h6,10-11H,3-4H2,1-2H3
InChIKeySKXLKJHVIOHHRW-UHFFFAOYSA-N
XLogP-1.10
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-5-carboxylate?
The IUPAC name of methyl 2-methyl-3-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-5-carboxylate (CID 105464797) is methyl 2-methyl-3-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-5-carboxylate.
What is the SMILES notation for methyl 2-methyl-3-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-5-carboxylate?
The canonical SMILES for methyl 2-methyl-3-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-5-carboxylate is COC(=O)C1Cc2c([nH]n(C)c2=O)CN1.
What is the InChIKey of methyl 2-methyl-3-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-5-carboxylate?
The InChIKey is SKXLKJHVIOHHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-12-8(13)5-3-6(9(14)15-2)10-4-7(5)11-12/h6,10-11H,3-4H2,1-2H3.
What are the key properties of methyl 2-methyl-3-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-5-carboxylate?
methyl 2-methyl-3-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-5-carboxylate has a molecular weight of 211.22 g/mol, XLogP of -1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-5-carboxylate is sourced from PubChem (CID 105464797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).