3-oxo-1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridine-5-carboxylic acid

C7H9N3O3 — CID 55296929

IUPAC3-oxo-1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridine-5-carboxylic acid
SMILESO=C(O)C1Cc2c([nH][nH]c2=O)CN1
InChIInChI=1S/C7H9N3O3/c11-6-3-1-4(7(12)13)8-2-5(3)9-10-6/h4,8H,1-2H2,(H,12,13)(H2,9,10,11)
InChIKeyNMTQMJQKIAALGN-UHFFFAOYSA-N
MW183.17 g/mol
LogP-1.20
Rot. Bonds1

About 3-oxo-1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridine-5-carboxylic acid

3-oxo-1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridine-5-carboxylic acid (PubChem CID 55296929) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 3-oxo-1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-oxo-1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridine-5-carboxylic acid
PubChem CID55296929
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name3-oxo-1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridine-5-carboxylic acid
SMILESO=C(O)C1Cc2c([nH][nH]c2=O)CN1
InChIInChI=1S/C7H9N3O3/c11-6-3-1-4(7(12)13)8-2-5(3)9-10-6/h4,8H,1-2H2,(H,12,13)(H2,9,10,11)
InChIKeyNMTQMJQKIAALGN-UHFFFAOYSA-N
XLogP-1.20
TPSA97.98 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-1.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-oxo-1,2,4,5,6,7-hexahydroindazole-5-carboxylic acid
CID 82407989
2-(3-oxo-1,2,4,5,6,7-hexahydroindazol-5-yl)acetic acid
CID 82399790
4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride
CID 16807503
3-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine-6-carboxylic acid
CID 83668336
2-chloro-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 84733867
(2S,4E)-4-(fluoromethylidene)pyrrolidine-2-carboxylic acid
CID 15735990
azane;1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 175030383
6,7,8-trihydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 13406824
N-cyclohexylcyclohexanamine;(2S)-4-oxopyrrolidine-2-carboxylic acid
CID 126520489
benzene;6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 142501010
(3R)-1,2,3,4-tetrahydroisoquinoline-3,7-dicarboxylic acid;hydrochloride
CID 118657995
5-nitro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 10846656

Frequently Asked Questions

What is the IUPAC name of 3-oxo-1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridine-5-carboxylic acid?
The IUPAC name of 3-oxo-1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridine-5-carboxylic acid (CID 55296929) is 3-oxo-1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-oxo-1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridine-5-carboxylic acid?
The canonical SMILES for 3-oxo-1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridine-5-carboxylic acid is O=C(O)C1Cc2c([nH][nH]c2=O)CN1.
What is the InChIKey of 3-oxo-1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridine-5-carboxylic acid?
The InChIKey is NMTQMJQKIAALGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c11-6-3-1-4(7(12)13)8-2-5(3)9-10-6/h4,8H,1-2H2,(H,12,13)(H2,9,10,11).
What are the key properties of 3-oxo-1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridine-5-carboxylic acid?
3-oxo-1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridine-5-carboxylic acid has a molecular weight of 183.17 g/mol, XLogP of -1.20, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 55296929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).