methyl 1,7-dimethyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate

C10H15N3O3 — CID 83850021

IUPACmethyl 1,7-dimethyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate
SMILESCOC(=O)N1CCc2c(n(C)[nH]c2=O)C1C
InChIInChI=1S/C10H15N3O3/c1-6-8-7(9(14)11-12(8)2)4-5-13(6)10(15)16-3/h6H,4-5H2,1-3H3,(H,11,14)
InChIKeyHSMHQXHOXPZFHI-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.40
Rot. Bonds

About methyl 1,7-dimethyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate

methyl 1,7-dimethyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate (PubChem CID 83850021) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is methyl 1,7-dimethyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 1,7-dimethyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate
PubChem CID83850021
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Namemethyl 1,7-dimethyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate
SMILESCOC(=O)N1CCc2c(n(C)[nH]c2=O)C1C
InChIInChI=1S/C10H15N3O3/c1-6-8-7(9(14)11-12(8)2)4-5-13(6)10(15)16-3/h6H,4-5H2,1-3H3,(H,11,14)
InChIKeyHSMHQXHOXPZFHI-UHFFFAOYSA-N
XLogP0.40
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1,7-dimethyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate?
The IUPAC name of methyl 1,7-dimethyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate (CID 83850021) is methyl 1,7-dimethyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate.
What is the SMILES notation for methyl 1,7-dimethyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate?
The canonical SMILES for methyl 1,7-dimethyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate is COC(=O)N1CCc2c(n(C)[nH]c2=O)C1C.
What is the InChIKey of methyl 1,7-dimethyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate?
The InChIKey is HSMHQXHOXPZFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-6-8-7(9(14)11-12(8)2)4-5-13(6)10(15)16-3/h6H,4-5H2,1-3H3,(H,11,14).
What are the key properties of methyl 1,7-dimethyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate?
methyl 1,7-dimethyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate has a molecular weight of 225.25 g/mol, XLogP of 0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,7-dimethyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate is sourced from PubChem (CID 83850021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).