4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxylic acid

C9H10N2O3 — CID 22605296

IUPAC4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxylic acid
SMILESO=C(O)c1cc2n(n1)CCCCC2=O
InChIInChI=1S/C9H10N2O3/c12-8-3-1-2-4-11-7(8)5-6(10-11)9(13)14/h5H,1-4H2,(H,13,14)
InChIKeyVKMIXLGLQJUAKF-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.95
Rot. Bonds1

About 4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxylic acid

4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxylic acid (PubChem CID 22605296) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxylic acid.

Molecular Properties

Compound Name4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxylic acid
PubChem CID22605296
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxylic acid
SMILESO=C(O)c1cc2n(n1)CCCCC2=O
InChIInChI=1S/C9H10N2O3/c12-8-3-1-2-4-11-7(8)5-6(10-11)9(13)14/h5H,1-4H2,(H,13,14)
InChIKeyVKMIXLGLQJUAKF-UHFFFAOYSA-N
XLogP0.95
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxylic acid?
The IUPAC name of 4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxylic acid (CID 22605296) is 4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxylic acid.
What is the SMILES notation for 4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxylic acid?
The canonical SMILES for 4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxylic acid is O=C(O)c1cc2n(n1)CCCCC2=O.
What is the InChIKey of 4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxylic acid?
The InChIKey is VKMIXLGLQJUAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c12-8-3-1-2-4-11-7(8)5-6(10-11)9(13)14/h5H,1-4H2,(H,13,14).
What are the key properties of 4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxylic acid?
4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxylic acid has a molecular weight of 194.19 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxylic acid is sourced from PubChem (CID 22605296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).