4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one

C20H27FN4O — CID 45242093

IUPAC4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one
SMILESCCn1nc(C)c(CNC2CC(=O)N(CCc3ccc(F)cc3)C2)c1C
InChIInChI=1S/C20H27FN4O/c1-4-25-15(3)19(14(2)23-25)12-22-18-11-20(26)24(13-18)10-9-16-5-7-17(21)8-6-16/h5-8,18,22H,4,9-13H2,1-3H3
InChIKeyLBPQDOAGDKTQQM-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.59
Rot. Bonds7

About 4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one

4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one (PubChem CID 45242093) has the molecular formula C20H27FN4O and a molecular weight of 358.46 g/mol. Its IUPAC name is 4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one
PubChem CID45242093
Molecular FormulaC20H27FN4O
Molecular Weight358.46 g/mol
Exact Mass358.22
IUPAC Name4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one
SMILESCCn1nc(C)c(CNC2CC(=O)N(CCc3ccc(F)cc3)C2)c1C
InChIInChI=1S/C20H27FN4O/c1-4-25-15(3)19(14(2)23-25)12-22-18-11-20(26)24(13-18)10-9-16-5-7-17(21)8-6-16/h5-8,18,22H,4,9-13H2,1-3H3
InChIKeyLBPQDOAGDKTQQM-UHFFFAOYSA-N
XLogP2.59
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-[2-(4-fluorophenyl)ethyl]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 4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one (CID 45242093) is 4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one is CCn1nc(C)c(CNC2CC(=O)N(CCc3ccc(F)cc3)C2)c1C.
What is the InChIKey of 4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one?
The InChIKey is LBPQDOAGDKTQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O/c1-4-25-15(3)19(14(2)23-25)12-22-18-11-20(26)24(13-18)10-9-16-5-7-17(21)8-6-16/h5-8,18,22H,4,9-13H2,1-3H3.
What are the key properties of 4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one?
4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one has a molecular weight of 358.46 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 45242093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).