(1,3-dimethylpyrrol-2-yl)-[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone

C18H19F3N2O2 — CID 129400519

IUPAC(1,3-dimethylpyrrol-2-yl)-[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
SMILESCc1ccn(C)c1C(=O)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H19F3N2O2/c1-11-6-7-22(2)16(11)17(25)23-10-14(24)9-15(23)12-4-3-5-13(8-12)18(19,20)21/h3-8,14-15,24H,9-10H2,1-2H3/t14-,15+/m1/s1
InChIKeyREEPEVQSXWFSJW-CABCVRRESA-N
MW352.36 g/mol
LogP3.30
Rot. Bonds2

About (1,3-dimethylpyrrol-2-yl)-[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone

(1,3-dimethylpyrrol-2-yl)-[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone (PubChem CID 129400519) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is (1,3-dimethylpyrrol-2-yl)-[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1,3-dimethylpyrrol-2-yl)-[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
PubChem CID129400519
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name(1,3-dimethylpyrrol-2-yl)-[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
SMILESCc1ccn(C)c1C(=O)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H19F3N2O2/c1-11-6-7-22(2)16(11)17(25)23-10-14(24)9-15(23)12-4-3-5-13(8-12)18(19,20)21/h3-8,14-15,24H,9-10H2,1-2H3/t14-,15+/m1/s1
InChIKeyREEPEVQSXWFSJW-CABCVRRESA-N
XLogP3.30
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1,3-dimethylpyrrol-2-yl)-[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone 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 (1,3-dimethylpyrrol-2-yl)-[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (1,3-dimethylpyrrol-2-yl)-[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone (CID 129400519) is (1,3-dimethylpyrrol-2-yl)-[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1,3-dimethylpyrrol-2-yl)-[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (1,3-dimethylpyrrol-2-yl)-[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone is Cc1ccn(C)c1C(=O)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1.
What is the InChIKey of (1,3-dimethylpyrrol-2-yl)-[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone?
The InChIKey is REEPEVQSXWFSJW-CABCVRRESA-N. The full InChI is InChI=1S/C18H19F3N2O2/c1-11-6-7-22(2)16(11)17(25)23-10-14(24)9-15(23)12-4-3-5-13(8-12)18(19,20)21/h3-8,14-15,24H,9-10H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of (1,3-dimethylpyrrol-2-yl)-[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone?
(1,3-dimethylpyrrol-2-yl)-[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone has a molecular weight of 352.36 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrrol-2-yl)-[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129400519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).