2-ethyl-1'-(1H-pyrazole-5-carbonyl)spiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,4'-piperidine]-1,3-dione

C16H21N5O3 — CID 91923476

IUPAC2-ethyl-1'-(1H-pyrazole-5-carbonyl)spiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,4'-piperidine]-1,3-dione
SMILESCCN1C(=O)C2CC3(CCN(C(=O)c4ccn[nH]4)CC3)CN2C1=O
InChIInChI=1S/C16H21N5O3/c1-2-20-14(23)12-9-16(10-21(12)15(20)24)4-7-19(8-5-16)13(22)11-3-6-17-18-11/h3,6,12H,2,4-5,7-10H2,1H3,(H,17,18)
InChIKeyCGIOAKUKYPAAHS-UHFFFAOYSA-N
MW331.38 g/mol
LogP0.69
Rot. Bonds2

About 2-ethyl-1'-(1H-pyrazole-5-carbonyl)spiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,4'-piperidine]-1,3-dione

2-ethyl-1'-(1H-pyrazole-5-carbonyl)spiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,4'-piperidine]-1,3-dione (PubChem CID 91923476) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-ethyl-1'-(1H-pyrazole-5-carbonyl)spiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,4'-piperidine]-1,3-dione.

Molecular Properties

Compound Name2-ethyl-1'-(1H-pyrazole-5-carbonyl)spiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,4'-piperidine]-1,3-dione
PubChem CID91923476
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name2-ethyl-1'-(1H-pyrazole-5-carbonyl)spiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,4'-piperidine]-1,3-dione
SMILESCCN1C(=O)C2CC3(CCN(C(=O)c4ccn[nH]4)CC3)CN2C1=O
InChIInChI=1S/C16H21N5O3/c1-2-20-14(23)12-9-16(10-21(12)15(20)24)4-7-19(8-5-16)13(22)11-3-6-17-18-11/h3,6,12H,2,4-5,7-10H2,1H3,(H,17,18)
InChIKeyCGIOAKUKYPAAHS-UHFFFAOYSA-N
XLogP0.69
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-ethyl-1'-(1H-pyrazole-5-carbonyl)spiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,4'-piperidine]-1,3-dione 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-ethyl-1'-(1H-pyrazole-5-carbonyl)spiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,4'-piperidine]-1,3-dione?
The IUPAC name of 2-ethyl-1'-(1H-pyrazole-5-carbonyl)spiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,4'-piperidine]-1,3-dione (CID 91923476) is 2-ethyl-1'-(1H-pyrazole-5-carbonyl)spiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,4'-piperidine]-1,3-dione.
What is the SMILES notation for 2-ethyl-1'-(1H-pyrazole-5-carbonyl)spiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,4'-piperidine]-1,3-dione?
The canonical SMILES for 2-ethyl-1'-(1H-pyrazole-5-carbonyl)spiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,4'-piperidine]-1,3-dione is CCN1C(=O)C2CC3(CCN(C(=O)c4ccn[nH]4)CC3)CN2C1=O.
What is the InChIKey of 2-ethyl-1'-(1H-pyrazole-5-carbonyl)spiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,4'-piperidine]-1,3-dione?
The InChIKey is CGIOAKUKYPAAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-2-20-14(23)12-9-16(10-21(12)15(20)24)4-7-19(8-5-16)13(22)11-3-6-17-18-11/h3,6,12H,2,4-5,7-10H2,1H3,(H,17,18).
What are the key properties of 2-ethyl-1'-(1H-pyrazole-5-carbonyl)spiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,4'-piperidine]-1,3-dione?
2-ethyl-1'-(1H-pyrazole-5-carbonyl)spiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,4'-piperidine]-1,3-dione has a molecular weight of 331.38 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1'-(1H-pyrazole-5-carbonyl)spiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,4'-piperidine]-1,3-dione is sourced from PubChem (CID 91923476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).