(4R,5R)-4-amino-1-ethyl-5-(1-ethylpyrazol-3-yl)pyrrolidin-2-one

C11H18N4O — CID 178196625

IUPAC(4R,5R)-4-amino-1-ethyl-5-(1-ethylpyrazol-3-yl)pyrrolidin-2-one
SMILESCCN1C(=O)C[C@@H](N)[C@@H]1c1ccn(CC)n1
InChIInChI=1S/C11H18N4O/c1-3-14-6-5-9(13-14)11-8(12)7-10(16)15(11)4-2/h5-6,8,11H,3-4,7,12H2,1-2H3/t8-,11-/m1/s1
InChIKeyWGTSCOACANMGNU-LDYMZIIASA-N
MW222.29 g/mol
LogP0.52
Rot. Bonds3

About (4R,5R)-4-amino-1-ethyl-5-(1-ethylpyrazol-3-yl)pyrrolidin-2-one

(4R,5R)-4-amino-1-ethyl-5-(1-ethylpyrazol-3-yl)pyrrolidin-2-one (PubChem CID 178196625) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is (4R,5R)-4-amino-1-ethyl-5-(1-ethylpyrazol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-4-amino-1-ethyl-5-(1-ethylpyrazol-3-yl)pyrrolidin-2-one
PubChem CID178196625
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name(4R,5R)-4-amino-1-ethyl-5-(1-ethylpyrazol-3-yl)pyrrolidin-2-one
SMILESCCN1C(=O)C[C@@H](N)[C@@H]1c1ccn(CC)n1
InChIInChI=1S/C11H18N4O/c1-3-14-6-5-9(13-14)11-8(12)7-10(16)15(11)4-2/h5-6,8,11H,3-4,7,12H2,1-2H3/t8-,11-/m1/s1
InChIKeyWGTSCOACANMGNU-LDYMZIIASA-N
XLogP0.52
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R,5R)-4-amino-1-ethyl-5-(1-ethylpyrazol-3-yl)pyrrolidin-2-one 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 (4R,5R)-4-amino-1-ethyl-5-(1-ethylpyrazol-3-yl)pyrrolidin-2-one?
The IUPAC name of (4R,5R)-4-amino-1-ethyl-5-(1-ethylpyrazol-3-yl)pyrrolidin-2-one (CID 178196625) is (4R,5R)-4-amino-1-ethyl-5-(1-ethylpyrazol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for (4R,5R)-4-amino-1-ethyl-5-(1-ethylpyrazol-3-yl)pyrrolidin-2-one?
The canonical SMILES for (4R,5R)-4-amino-1-ethyl-5-(1-ethylpyrazol-3-yl)pyrrolidin-2-one is CCN1C(=O)C[C@@H](N)[C@@H]1c1ccn(CC)n1.
What is the InChIKey of (4R,5R)-4-amino-1-ethyl-5-(1-ethylpyrazol-3-yl)pyrrolidin-2-one?
The InChIKey is WGTSCOACANMGNU-LDYMZIIASA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-14-6-5-9(13-14)11-8(12)7-10(16)15(11)4-2/h5-6,8,11H,3-4,7,12H2,1-2H3/t8-,11-/m1/s1.
What are the key properties of (4R,5R)-4-amino-1-ethyl-5-(1-ethylpyrazol-3-yl)pyrrolidin-2-one?
(4R,5R)-4-amino-1-ethyl-5-(1-ethylpyrazol-3-yl)pyrrolidin-2-one has a molecular weight of 222.29 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-amino-1-ethyl-5-(1-ethylpyrazol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 178196625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).