3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanamide

C23H22N4O3 — CID 55480091

IUPAC3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanamide
SMILESO=C(CCN1C(=O)COc2ccccc21)Nc1c2c(nn1-c1ccccc1)CCC2
InChIInChI=1S/C23H22N4O3/c28-21(13-14-26-19-11-4-5-12-20(19)30-15-22(26)29)24-23-17-9-6-10-18(17)25-27(23)16-7-2-1-3-8-16/h1-5,7-8,11-12H,6,9-10,13-15H2,(H,24,28)
InChIKeyUZSDCSCQALTDFK-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.12
Rot. Bonds5

About 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanamide

3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanamide (PubChem CID 55480091) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanamide
PubChem CID55480091
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanamide
SMILESO=C(CCN1C(=O)COc2ccccc21)Nc1c2c(nn1-c1ccccc1)CCC2
InChIInChI=1S/C23H22N4O3/c28-21(13-14-26-19-11-4-5-12-20(19)30-15-22(26)29)24-23-17-9-6-10-18(17)25-27(23)16-7-2-1-3-8-16/h1-5,7-8,11-12H,6,9-10,13-15H2,(H,24,28)
InChIKeyUZSDCSCQALTDFK-UHFFFAOYSA-N
XLogP3.12
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanamide 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 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanamide?
The IUPAC name of 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanamide (CID 55480091) is 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanamide.
What is the SMILES notation for 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanamide?
The canonical SMILES for 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanamide is O=C(CCN1C(=O)COc2ccccc21)Nc1c2c(nn1-c1ccccc1)CCC2.
What is the InChIKey of 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanamide?
The InChIKey is UZSDCSCQALTDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c28-21(13-14-26-19-11-4-5-12-20(19)30-15-22(26)29)24-23-17-9-6-10-18(17)25-27(23)16-7-2-1-3-8-16/h1-5,7-8,11-12H,6,9-10,13-15H2,(H,24,28).
What are the key properties of 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanamide?
3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanamide has a molecular weight of 402.45 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanamide is sourced from PubChem (CID 55480091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).