4-[(5-methyl-1-propylpyrazol-4-yl)methylamino]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one

C20H25F3N4O — CID 45223645

IUPAC4-[(5-methyl-1-propylpyrazol-4-yl)methylamino]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
SMILESCCCn1ncc(CNC2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c1C
InChIInChI=1S/C20H25F3N4O/c1-3-8-27-14(2)16(11-25-27)10-24-17-9-19(28)26(13-17)12-15-6-4-5-7-18(15)20(21,22)23/h4-7,11,17,24H,3,8-10,12-13H2,1-2H3
InChIKeyXPGQGHOSZSYGOW-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.51
Rot. Bonds7

About 4-[(5-methyl-1-propylpyrazol-4-yl)methylamino]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one

4-[(5-methyl-1-propylpyrazol-4-yl)methylamino]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one (PubChem CID 45223645) has the molecular formula C20H25F3N4O and a molecular weight of 394.44 g/mol. Its IUPAC name is 4-[(5-methyl-1-propylpyrazol-4-yl)methylamino]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(5-methyl-1-propylpyrazol-4-yl)methylamino]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
PubChem CID45223645
Molecular FormulaC20H25F3N4O
Molecular Weight394.44 g/mol
Exact Mass394.20
IUPAC Name4-[(5-methyl-1-propylpyrazol-4-yl)methylamino]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
SMILESCCCn1ncc(CNC2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c1C
InChIInChI=1S/C20H25F3N4O/c1-3-8-27-14(2)16(11-25-27)10-24-17-9-19(28)26(13-17)12-15-6-4-5-7-18(15)20(21,22)23/h4-7,11,17,24H,3,8-10,12-13H2,1-2H3
InChIKeyXPGQGHOSZSYGOW-UHFFFAOYSA-N
XLogP3.51
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(5-methyl-1-propylpyrazol-4-yl)methylamino]-1-[[2-(trifluoromethyl)phenyl]methyl]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-[(5-methyl-1-propylpyrazol-4-yl)methylamino]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 4-[(5-methyl-1-propylpyrazol-4-yl)methylamino]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one (CID 45223645) is 4-[(5-methyl-1-propylpyrazol-4-yl)methylamino]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[(5-methyl-1-propylpyrazol-4-yl)methylamino]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 4-[(5-methyl-1-propylpyrazol-4-yl)methylamino]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one is CCCn1ncc(CNC2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c1C.
What is the InChIKey of 4-[(5-methyl-1-propylpyrazol-4-yl)methylamino]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one?
The InChIKey is XPGQGHOSZSYGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O/c1-3-8-27-14(2)16(11-25-27)10-24-17-9-19(28)26(13-17)12-15-6-4-5-7-18(15)20(21,22)23/h4-7,11,17,24H,3,8-10,12-13H2,1-2H3.
What are the key properties of 4-[(5-methyl-1-propylpyrazol-4-yl)methylamino]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one?
4-[(5-methyl-1-propylpyrazol-4-yl)methylamino]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one has a molecular weight of 394.44 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1-propylpyrazol-4-yl)methylamino]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 45223645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).