(2S)-2-ethoxy-2-phenyl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone

C20H27N3O2 — CID 95735802

IUPAC(2S)-2-ethoxy-2-phenyl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
SMILESCCO[C@H](C(=O)N1CCC[C@H]1c1c(C)nn(C)c1C)c1ccccc1
InChIInChI=1S/C20H27N3O2/c1-5-25-19(16-10-7-6-8-11-16)20(24)23-13-9-12-17(23)18-14(2)21-22(4)15(18)3/h6-8,10-11,17,19H,5,9,12-13H2,1-4H3/t17-,19-/m0/s1
InChIKeyJZKYCFVYKDHKMV-HKUYNNGSSA-N
MW341.46 g/mol
LogP3.48
Rot. Bonds5

About (2S)-2-ethoxy-2-phenyl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone

(2S)-2-ethoxy-2-phenyl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone (PubChem CID 95735802) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is (2S)-2-ethoxy-2-phenyl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name(2S)-2-ethoxy-2-phenyl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
PubChem CID95735802
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name(2S)-2-ethoxy-2-phenyl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
SMILESCCO[C@H](C(=O)N1CCC[C@H]1c1c(C)nn(C)c1C)c1ccccc1
InChIInChI=1S/C20H27N3O2/c1-5-25-19(16-10-7-6-8-11-16)20(24)23-13-9-12-17(23)18-14(2)21-22(4)15(18)3/h6-8,10-11,17,19H,5,9,12-13H2,1-4H3/t17-,19-/m0/s1
InChIKeyJZKYCFVYKDHKMV-HKUYNNGSSA-N
XLogP3.48
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-2-ethoxy-2-phenyl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone 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 (2S)-2-ethoxy-2-phenyl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of (2S)-2-ethoxy-2-phenyl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone (CID 95735802) is (2S)-2-ethoxy-2-phenyl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for (2S)-2-ethoxy-2-phenyl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for (2S)-2-ethoxy-2-phenyl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone is CCO[C@H](C(=O)N1CCC[C@H]1c1c(C)nn(C)c1C)c1ccccc1.
What is the InChIKey of (2S)-2-ethoxy-2-phenyl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is JZKYCFVYKDHKMV-HKUYNNGSSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-5-25-19(16-10-7-6-8-11-16)20(24)23-13-9-12-17(23)18-14(2)21-22(4)15(18)3/h6-8,10-11,17,19H,5,9,12-13H2,1-4H3/t17-,19-/m0/s1.
What are the key properties of (2S)-2-ethoxy-2-phenyl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
(2S)-2-ethoxy-2-phenyl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 341.46 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxy-2-phenyl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95735802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).