4-oxo-1-prop-2-enyl-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylic acid

C10H11N3O3 — CID 69150421

IUPAC4-oxo-1-prop-2-enyl-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylic acid
SMILESC=CCn1ncc2c1CN(C(=O)O)CC2=O
InChIInChI=1S/C10H11N3O3/c1-2-3-13-8-5-12(10(15)16)6-9(14)7(8)4-11-13/h2,4H,1,3,5-6H2,(H,15,16)
InChIKeyKFMODVJSMCPERY-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.75
Rot. Bonds2

About 4-oxo-1-prop-2-enyl-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylic acid

4-oxo-1-prop-2-enyl-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylic acid (PubChem CID 69150421) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 4-oxo-1-prop-2-enyl-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1-prop-2-enyl-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylic acid
PubChem CID69150421
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name4-oxo-1-prop-2-enyl-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylic acid
SMILESC=CCn1ncc2c1CN(C(=O)O)CC2=O
InChIInChI=1S/C10H11N3O3/c1-2-3-13-8-5-12(10(15)16)6-9(14)7(8)4-11-13/h2,4H,1,3,5-6H2,(H,15,16)
InChIKeyKFMODVJSMCPERY-UHFFFAOYSA-N
XLogP0.75
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-prop-2-enyl-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylic acid?
The IUPAC name of 4-oxo-1-prop-2-enyl-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylic acid (CID 69150421) is 4-oxo-1-prop-2-enyl-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-oxo-1-prop-2-enyl-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylic acid?
The canonical SMILES for 4-oxo-1-prop-2-enyl-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylic acid is C=CCn1ncc2c1CN(C(=O)O)CC2=O.
What is the InChIKey of 4-oxo-1-prop-2-enyl-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylic acid?
The InChIKey is KFMODVJSMCPERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-2-3-13-8-5-12(10(15)16)6-9(14)7(8)4-11-13/h2,4H,1,3,5-6H2,(H,15,16).
What are the key properties of 4-oxo-1-prop-2-enyl-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylic acid?
4-oxo-1-prop-2-enyl-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylic acid has a molecular weight of 221.22 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-prop-2-enyl-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 69150421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).