methyl 2-(4-hydroxy-5-methyl-4H-pyrazolo[4,5-c]pyridin-1-yl)acetate

C10H13N3O3 — CID 59014363

IUPACmethyl 2-(4-hydroxy-5-methyl-4H-pyrazolo[4,5-c]pyridin-1-yl)acetate
SMILESCOC(=O)Cn1ncc2c1C=CN(C)C2O
InChIInChI=1S/C10H13N3O3/c1-12-4-3-8-7(10(12)15)5-11-13(8)6-9(14)16-2/h3-5,10,15H,6H2,1-2H3
InChIKeyGPKYLUQJKUSVOE-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.04
Rot. Bonds2

About methyl 2-(4-hydroxy-5-methyl-4H-pyrazolo[4,5-c]pyridin-1-yl)acetate

methyl 2-(4-hydroxy-5-methyl-4H-pyrazolo[4,5-c]pyridin-1-yl)acetate (PubChem CID 59014363) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is methyl 2-(4-hydroxy-5-methyl-4H-pyrazolo[4,5-c]pyridin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-hydroxy-5-methyl-4H-pyrazolo[4,5-c]pyridin-1-yl)acetate
PubChem CID59014363
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Namemethyl 2-(4-hydroxy-5-methyl-4H-pyrazolo[4,5-c]pyridin-1-yl)acetate
SMILESCOC(=O)Cn1ncc2c1C=CN(C)C2O
InChIInChI=1S/C10H13N3O3/c1-12-4-3-8-7(10(12)15)5-11-13(8)6-9(14)16-2/h3-5,10,15H,6H2,1-2H3
InChIKeyGPKYLUQJKUSVOE-UHFFFAOYSA-N
XLogP-0.04
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-hydroxy-5-methyl-4H-pyrazolo[4,5-c]pyridin-1-yl)acetate?
The IUPAC name of methyl 2-(4-hydroxy-5-methyl-4H-pyrazolo[4,5-c]pyridin-1-yl)acetate (CID 59014363) is methyl 2-(4-hydroxy-5-methyl-4H-pyrazolo[4,5-c]pyridin-1-yl)acetate.
What is the SMILES notation for methyl 2-(4-hydroxy-5-methyl-4H-pyrazolo[4,5-c]pyridin-1-yl)acetate?
The canonical SMILES for methyl 2-(4-hydroxy-5-methyl-4H-pyrazolo[4,5-c]pyridin-1-yl)acetate is COC(=O)Cn1ncc2c1C=CN(C)C2O.
What is the InChIKey of methyl 2-(4-hydroxy-5-methyl-4H-pyrazolo[4,5-c]pyridin-1-yl)acetate?
The InChIKey is GPKYLUQJKUSVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-12-4-3-8-7(10(12)15)5-11-13(8)6-9(14)16-2/h3-5,10,15H,6H2,1-2H3.
What are the key properties of methyl 2-(4-hydroxy-5-methyl-4H-pyrazolo[4,5-c]pyridin-1-yl)acetate?
methyl 2-(4-hydroxy-5-methyl-4H-pyrazolo[4,5-c]pyridin-1-yl)acetate has a molecular weight of 223.23 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-hydroxy-5-methyl-4H-pyrazolo[4,5-c]pyridin-1-yl)acetate is sourced from PubChem (CID 59014363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).