(2S,3S)-N-methyl-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide

C18H20F3N3O2 — CID 128967260

IUPAC(2S,3S)-N-methyl-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C18H20F3N3O2/c1-12-5-3-4-6-14(12)24-15(7-9-22-24)16-13(8-10-26-16)17(25)23(2)11-18(19,20)21/h3-7,9,13,16H,8,10-11H2,1-2H3/t13-,16-/m0/s1
InChIKeyZASISVMEFWIXKR-BBRMVZONSA-N
MW367.37 g/mol
LogP3.28
Rot. Bonds4

About (2S,3S)-N-methyl-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide

(2S,3S)-N-methyl-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (PubChem CID 128967260) has the molecular formula C18H20F3N3O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is (2S,3S)-N-methyl-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-methyl-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
PubChem CID128967260
Molecular FormulaC18H20F3N3O2
Molecular Weight367.37 g/mol
Exact Mass367.15
IUPAC Name(2S,3S)-N-methyl-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C18H20F3N3O2/c1-12-5-3-4-6-14(12)24-15(7-9-22-24)16-13(8-10-26-16)17(25)23(2)11-18(19,20)21/h3-7,9,13,16H,8,10-11H2,1-2H3/t13-,16-/m0/s1
InChIKeyZASISVMEFWIXKR-BBRMVZONSA-N
XLogP3.28
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S,3S)-N-methyl-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

rac-(2R,3R)-2-(1-benzyl-1H-pyrazol-5-yl)oxolane-3-carboxylic acid
CID 124709996
rac-(2R,3R)-2-(1-(4-fluorophenyl)-1H-pyrazol-5-yl)oxolane-3-carboxylic acid
CID 125528789
1-(2-Fluoro-6-pyrazol-1-ylphenyl)ethyl 3-(2-oxopyrrolidin-1-yl)propanoate
CID 71847319
(2S,3S)-2-[1-(2-methylphenyl)-1H-pyrazol-5-yl]oxolane-3-carboxylic acid
CID 91662778
(2R,3R)-N-[1-(2,4-difluorophenyl)ethyl]-2-(2-propan-2-ylpyrazol-3-yl)oxane-3-carboxamide
CID 126800314
N-[(2S,3S)-2-(2-phenylpyrazol-3-yl)oxolan-3-yl]cyclopent-3-ene-1-carboxamide
CID 164631078
[4-(2,2-difluoroethyl)piperazin-1-yl]-[(2S,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanone
CID 164636205
1-[[4-[5-(Methoxymethyl)-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidin-2-one
CID 135303981
acetylene;methyl 1-methyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5-[[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]oxymethyl]pyrazole-4-carboximidate
CID 144417271
(2S,3S)-2-[1-(4-fluorophenyl)-1H-pyrazol-5-yl]oxolane-3-carboxylic acid
CID 91662779
[(1S)-1-(2-fluoro-6-pyrazol-1-ylphenyl)ethyl] 3-(2-oxopyrrolidin-1-yl)propanoate
CID 97020560
[(1R)-1-(2-fluoro-6-pyrazol-1-ylphenyl)ethyl] 3-(2-oxopyrrolidin-1-yl)propanoate
CID 97020561

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-methyl-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N-methyl-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (CID 128967260) is (2S,3S)-N-methyl-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-methyl-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N-methyl-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)N(C)CC(F)(F)F.
What is the InChIKey of (2S,3S)-N-methyl-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The InChIKey is ZASISVMEFWIXKR-BBRMVZONSA-N. The full InChI is InChI=1S/C18H20F3N3O2/c1-12-5-3-4-6-14(12)24-15(7-9-22-24)16-13(8-10-26-16)17(25)23(2)11-18(19,20)21/h3-7,9,13,16H,8,10-11H2,1-2H3/t13-,16-/m0/s1.
What are the key properties of (2S,3S)-N-methyl-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
(2S,3S)-N-methyl-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide has a molecular weight of 367.37 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-methyl-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is sourced from PubChem (CID 128967260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).