ethyl 4-oxo-1,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylate

C9H11N3O3 — CID 141380718

IUPACethyl 4-oxo-1,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1n[nH]c2c1C(=O)CNC2
InChIInChI=1S/C9H11N3O3/c1-2-15-9(14)8-7-5(11-12-8)3-10-4-6(7)13/h10H,2-4H2,1H3,(H,11,12)
InChIKeyWZAQXKLKXXZCKM-UHFFFAOYSA-N
MW209.20 g/mol
LogP-0.13
Rot. Bonds2

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

ethyl 4-oxo-1,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylate (PubChem CID 141380718) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is ethyl 4-oxo-1,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-1,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylate
PubChem CID141380718
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Nameethyl 4-oxo-1,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1n[nH]c2c1C(=O)CNC2
InChIInChI=1S/C9H11N3O3/c1-2-15-9(14)8-7-5(11-12-8)3-10-4-6(7)13/h10H,2-4H2,1H3,(H,11,12)
InChIKeyWZAQXKLKXXZCKM-UHFFFAOYSA-N
XLogP-0.13
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-oxo-5,6-dihydro-1H-cyclopenta[c]pyrazole-3-carboxylate
CID 131456675
ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxylate
CID 21056777
ethyl (6R)-6-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride
CID 163409902
ethane;ethyl 4,5-dimethyl-1H-pyrazole-3-carboxylate
CID 145047369
ethyl 5-oxo-1,2-dihydrotriazole-4-carboxylate
CID 12937514
ethyl 6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 155731721
ethyl 3-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxylate
CID 69059429
ethyl 5-amino-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate
CID 23005640
ethyl (2S,4R)-3-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxylate
CID 70966341
ethane;ethyl 6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 155731720
ethyl 8-methyl-4,5-diazatricyclo[6.1.1.02,6]deca-2(6),3-diene-3-carboxylate
CID 167119327
ethyl 4-amino-5-bromo-1H-pyrazole-3-carboxylate
CID 75525002

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-1,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 4-oxo-1,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylate (CID 141380718) is ethyl 4-oxo-1,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-oxo-1,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-oxo-1,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylate is CCOC(=O)c1n[nH]c2c1C(=O)CNC2.
What is the InChIKey of ethyl 4-oxo-1,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylate?
The InChIKey is WZAQXKLKXXZCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-2-15-9(14)8-7-5(11-12-8)3-10-4-6(7)13/h10H,2-4H2,1H3,(H,11,12).
What are the key properties of ethyl 4-oxo-1,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylate?
ethyl 4-oxo-1,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylate has a molecular weight of 209.20 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-1,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylate is sourced from PubChem (CID 141380718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).