(2S,3S)-N-methyl-2-(2-propan-2-ylpyrazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]oxolane-3-carboxamide

C20H24F3N3O2 — CID 128971827

IUPAC(2S,3S)-N-methyl-2-(2-propan-2-ylpyrazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]oxolane-3-carboxamide
SMILESCC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)N(C)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C20H24F3N3O2/c1-13(2)26-17(8-10-24-26)18-15(9-11-28-18)19(27)25(3)12-14-6-4-5-7-16(14)20(21,22)23/h4-8,10,13,15,18H,9,11-12H2,1-3H3/t15-,18-/m0/s1
InChIKeyMRNZXNMPVYGILF-YJBOKZPZSA-N
MW395.43 g/mol
LogP4.22
Rot. Bonds5

About (2S,3S)-N-methyl-2-(2-propan-2-ylpyrazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]oxolane-3-carboxamide

(2S,3S)-N-methyl-2-(2-propan-2-ylpyrazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]oxolane-3-carboxamide (PubChem CID 128971827) has the molecular formula C20H24F3N3O2 and a molecular weight of 395.43 g/mol. Its IUPAC name is (2S,3S)-N-methyl-2-(2-propan-2-ylpyrazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-methyl-2-(2-propan-2-ylpyrazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]oxolane-3-carboxamide
PubChem CID128971827
Molecular FormulaC20H24F3N3O2
Molecular Weight395.43 g/mol
Exact Mass395.18
IUPAC Name(2S,3S)-N-methyl-2-(2-propan-2-ylpyrazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]oxolane-3-carboxamide
SMILESCC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)N(C)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C20H24F3N3O2/c1-13(2)26-17(8-10-24-26)18-15(9-11-28-18)19(27)25(3)12-14-6-4-5-7-16(14)20(21,22)23/h4-8,10,13,15,18H,9,11-12H2,1-3H3/t15-,18-/m0/s1
InChIKeyMRNZXNMPVYGILF-YJBOKZPZSA-N
XLogP4.22
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-methyl-2-(2-propan-2-ylpyrazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N-methyl-2-(2-propan-2-ylpyrazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]oxolane-3-carboxamide (CID 128971827) is (2S,3S)-N-methyl-2-(2-propan-2-ylpyrazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-methyl-2-(2-propan-2-ylpyrazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N-methyl-2-(2-propan-2-ylpyrazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]oxolane-3-carboxamide is CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)N(C)Cc1ccccc1C(F)(F)F.
What is the InChIKey of (2S,3S)-N-methyl-2-(2-propan-2-ylpyrazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]oxolane-3-carboxamide?
The InChIKey is MRNZXNMPVYGILF-YJBOKZPZSA-N. The full InChI is InChI=1S/C20H24F3N3O2/c1-13(2)26-17(8-10-24-26)18-15(9-11-28-18)19(27)25(3)12-14-6-4-5-7-16(14)20(21,22)23/h4-8,10,13,15,18H,9,11-12H2,1-3H3/t15-,18-/m0/s1.
What are the key properties of (2S,3S)-N-methyl-2-(2-propan-2-ylpyrazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]oxolane-3-carboxamide?
(2S,3S)-N-methyl-2-(2-propan-2-ylpyrazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]oxolane-3-carboxamide has a molecular weight of 395.43 g/mol, XLogP of 4.22, 5 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-propan-2-ylpyrazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 128971827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).