(2'S,3R)-2-oxo-6-phenylspiro[1H-imidazo[2,1-e]pyrazole-3,4'-pyrrolidine]-2'-carboxamide

C15H15N5O2 — CID 171733186

IUPAC(2'S,3R)-2-oxo-6-phenylspiro[1H-imidazo[2,1-e]pyrazole-3,4'-pyrrolidine]-2'-carboxamide
SMILESNC(=O)[C@@H]1C[C@@]2(CN1)C(=O)Nc1cc(-c3ccccc3)nn12
InChIInChI=1S/C15H15N5O2/c16-13(21)11-7-15(8-17-11)14(22)18-12-6-10(19-20(12)15)9-4-2-1-3-5-9/h1-6,11,17H,7-8H2,(H2,16,21)(H,18,22)/t11-,15+/m0/s1
InChIKeyVOTXODGLJWEMCU-XHDPSFHLSA-N
MW297.32 g/mol
LogP0.04
Rot. Bonds2

About (2'S,3R)-2-oxo-6-phenylspiro[1H-imidazo[2,1-e]pyrazole-3,4'-pyrrolidine]-2'-carboxamide

(2'S,3R)-2-oxo-6-phenylspiro[1H-imidazo[2,1-e]pyrazole-3,4'-pyrrolidine]-2'-carboxamide (PubChem CID 171733186) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is (2'S,3R)-2-oxo-6-phenylspiro[1H-imidazo[2,1-e]pyrazole-3,4'-pyrrolidine]-2'-carboxamide.

Molecular Properties

Compound Name(2'S,3R)-2-oxo-6-phenylspiro[1H-imidazo[2,1-e]pyrazole-3,4'-pyrrolidine]-2'-carboxamide
PubChem CID171733186
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name(2'S,3R)-2-oxo-6-phenylspiro[1H-imidazo[2,1-e]pyrazole-3,4'-pyrrolidine]-2'-carboxamide
SMILESNC(=O)[C@@H]1C[C@@]2(CN1)C(=O)Nc1cc(-c3ccccc3)nn12
InChIInChI=1S/C15H15N5O2/c16-13(21)11-7-15(8-17-11)14(22)18-12-6-10(19-20(12)15)9-4-2-1-3-5-9/h1-6,11,17H,7-8H2,(H2,16,21)(H,18,22)/t11-,15+/m0/s1
InChIKeyVOTXODGLJWEMCU-XHDPSFHLSA-N
XLogP0.04
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2'S,3R)-2-oxo-6-phenylspiro[1H-imidazo[2,1-e]pyrazole-3,4'-pyrrolidine]-2'-carboxamide 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 (2'S,3R)-2-oxo-6-phenylspiro[1H-imidazo[2,1-e]pyrazole-3,4'-pyrrolidine]-2'-carboxamide?
The IUPAC name of (2'S,3R)-2-oxo-6-phenylspiro[1H-imidazo[2,1-e]pyrazole-3,4'-pyrrolidine]-2'-carboxamide (CID 171733186) is (2'S,3R)-2-oxo-6-phenylspiro[1H-imidazo[2,1-e]pyrazole-3,4'-pyrrolidine]-2'-carboxamide.
What is the SMILES notation for (2'S,3R)-2-oxo-6-phenylspiro[1H-imidazo[2,1-e]pyrazole-3,4'-pyrrolidine]-2'-carboxamide?
The canonical SMILES for (2'S,3R)-2-oxo-6-phenylspiro[1H-imidazo[2,1-e]pyrazole-3,4'-pyrrolidine]-2'-carboxamide is NC(=O)[C@@H]1C[C@@]2(CN1)C(=O)Nc1cc(-c3ccccc3)nn12.
What is the InChIKey of (2'S,3R)-2-oxo-6-phenylspiro[1H-imidazo[2,1-e]pyrazole-3,4'-pyrrolidine]-2'-carboxamide?
The InChIKey is VOTXODGLJWEMCU-XHDPSFHLSA-N. The full InChI is InChI=1S/C15H15N5O2/c16-13(21)11-7-15(8-17-11)14(22)18-12-6-10(19-20(12)15)9-4-2-1-3-5-9/h1-6,11,17H,7-8H2,(H2,16,21)(H,18,22)/t11-,15+/m0/s1.
What are the key properties of (2'S,3R)-2-oxo-6-phenylspiro[1H-imidazo[2,1-e]pyrazole-3,4'-pyrrolidine]-2'-carboxamide?
(2'S,3R)-2-oxo-6-phenylspiro[1H-imidazo[2,1-e]pyrazole-3,4'-pyrrolidine]-2'-carboxamide has a molecular weight of 297.32 g/mol, XLogP of 0.04, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R)-2-oxo-6-phenylspiro[1H-imidazo[2,1-e]pyrazole-3,4'-pyrrolidine]-2'-carboxamide is sourced from PubChem (CID 171733186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).