(2R,3R)-N-methyl-2-(2-methylpyrazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]oxolane-3-carboxamide

C18H20F3N3O2 — CID 128968478

IUPAC(2R,3R)-N-methyl-2-(2-methylpyrazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]oxolane-3-carboxamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CCO[C@H]1c1ccnn1C
InChIInChI=1S/C18H20F3N3O2/c1-23(11-12-3-5-13(6-4-12)18(19,20)21)17(25)14-8-10-26-16(14)15-7-9-22-24(15)2/h3-7,9,14,16H,8,10-11H2,1-2H3/t14-,16-/m1/s1
InChIKeyHDFRGUAXQJRSOD-GDBMZVCRSA-N
MW367.37 g/mol
LogP3.18
Rot. Bonds4

About (2R,3R)-N-methyl-2-(2-methylpyrazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]oxolane-3-carboxamide

(2R,3R)-N-methyl-2-(2-methylpyrazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]oxolane-3-carboxamide (PubChem CID 128968478) has the molecular formula C18H20F3N3O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is (2R,3R)-N-methyl-2-(2-methylpyrazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-methyl-2-(2-methylpyrazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]oxolane-3-carboxamide
PubChem CID128968478
Molecular FormulaC18H20F3N3O2
Molecular Weight367.37 g/mol
Exact Mass367.15
IUPAC Name(2R,3R)-N-methyl-2-(2-methylpyrazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]oxolane-3-carboxamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CCO[C@H]1c1ccnn1C
InChIInChI=1S/C18H20F3N3O2/c1-23(11-12-3-5-13(6-4-12)18(19,20)21)17(25)14-8-10-26-16(14)15-7-9-22-24(15)2/h3-7,9,14,16H,8,10-11H2,1-2H3/t14-,16-/m1/s1
InChIKeyHDFRGUAXQJRSOD-GDBMZVCRSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R,3R)-N-methyl-2-(2-methylpyrazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]oxolane-3-carboxamide with MolForge

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Related Compounds

2-[(4-Fluorophenyl)-(2-methylpyrazol-3-yl)methoxy]-1-morpholin-4-ylethanone
CID 45488337
rac-(2R,3R)-2-(1-benzyl-1H-pyrazol-5-yl)oxolane-3-carboxylic acid
CID 124709996
(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
(2S,3S)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide
CID 164631091
[4-(2,2-difluoroethyl)piperazin-1-yl]-[(2S,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanone
CID 164636205
N-{[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl}-3-(1-methyl-1H-pyrazol-5-yl)propanamide
CID 120425581
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
methyl 1-methyl-N-[1-[4-(pyrrolidine-1-carbonyl)phenyl]ethenyl]-5-[[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]oxymethyl]pyrazole-4-carboximidate
CID 144417296
[3-[[2-Fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]-[3-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]methanone
CID 170636495
1-[3-[1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)pyrrolidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 11444326
1-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-[(2-methylpyrazol-3-yl)methoxy]ethanone
CID 100652997

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-methyl-2-(2-methylpyrazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]oxolane-3-carboxamide?
The IUPAC name of (2R,3R)-N-methyl-2-(2-methylpyrazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]oxolane-3-carboxamide (CID 128968478) is (2R,3R)-N-methyl-2-(2-methylpyrazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-methyl-2-(2-methylpyrazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]oxolane-3-carboxamide?
The canonical SMILES for (2R,3R)-N-methyl-2-(2-methylpyrazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]oxolane-3-carboxamide is CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CCO[C@H]1c1ccnn1C.
What is the InChIKey of (2R,3R)-N-methyl-2-(2-methylpyrazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]oxolane-3-carboxamide?
The InChIKey is HDFRGUAXQJRSOD-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H20F3N3O2/c1-23(11-12-3-5-13(6-4-12)18(19,20)21)17(25)14-8-10-26-16(14)15-7-9-22-24(15)2/h3-7,9,14,16H,8,10-11H2,1-2H3/t14-,16-/m1/s1.
What are the key properties of (2R,3R)-N-methyl-2-(2-methylpyrazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]oxolane-3-carboxamide?
(2R,3R)-N-methyl-2-(2-methylpyrazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]oxolane-3-carboxamide has a molecular weight of 367.37 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-methyl-2-(2-methylpyrazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 128968478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).