(2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-hydroxyethyl)phenyl]-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

C21H22F7N3O3 — CID 166161162

IUPAC(2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-hydroxyethyl)phenyl]-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCc1nn(C(F)F)cc1NC(=O)[C@@H]1O[C@@](C)(C(F)(F)F)[C@@H](C)[C@H]1c1ccc(F)c(F)c1CCO
InChIInChI=1S/C21H22F7N3O3/c1-9-15(11-4-5-13(22)16(23)12(11)6-7-32)17(34-20(9,3)21(26,27)28)18(33)29-14-8-31(19(24)25)30-10(14)2/h4-5,8-9,15,17,19,32H,6-7H2,1-3H3,(H,29,33)/t9-,15-,17+,20+/m0/s1
InChIKeyFXFWFGOANABBPY-CIQCAONSSA-N
MW497.41 g/mol
LogP4.48
Rot. Bonds6

About (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-hydroxyethyl)phenyl]-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

(2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-hydroxyethyl)phenyl]-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 166161162) has the molecular formula C21H22F7N3O3 and a molecular weight of 497.41 g/mol. Its IUPAC name is (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-hydroxyethyl)phenyl]-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-hydroxyethyl)phenyl]-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID166161162
Molecular FormulaC21H22F7N3O3
Molecular Weight497.41 g/mol
Exact Mass497.15
IUPAC Name(2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-hydroxyethyl)phenyl]-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCc1nn(C(F)F)cc1NC(=O)[C@@H]1O[C@@](C)(C(F)(F)F)[C@@H](C)[C@H]1c1ccc(F)c(F)c1CCO
InChIInChI=1S/C21H22F7N3O3/c1-9-15(11-4-5-13(22)16(23)12(11)6-7-32)17(34-20(9,3)21(26,27)28)18(33)29-14-8-31(19(24)25)30-10(14)2/h4-5,8-9,15,17,19,32H,6-7H2,1-3H3,(H,29,33)/t9-,15-,17+,20+/m0/s1
InChIKeyFXFWFGOANABBPY-CIQCAONSSA-N
XLogP4.48
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.41
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-hydroxyethyl)phenyl]-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-hydroxyethyl)phenyl]-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-hydroxyethyl)phenyl]-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (CID 166161162) is (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-hydroxyethyl)phenyl]-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-hydroxyethyl)phenyl]-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-hydroxyethyl)phenyl]-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is Cc1nn(C(F)F)cc1NC(=O)[C@@H]1O[C@@](C)(C(F)(F)F)[C@@H](C)[C@H]1c1ccc(F)c(F)c1CCO.
What is the InChIKey of (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-hydroxyethyl)phenyl]-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is FXFWFGOANABBPY-CIQCAONSSA-N. The full InChI is InChI=1S/C21H22F7N3O3/c1-9-15(11-4-5-13(22)16(23)12(11)6-7-32)17(34-20(9,3)21(26,27)28)18(33)29-14-8-31(19(24)25)30-10(14)2/h4-5,8-9,15,17,19,32H,6-7H2,1-3H3,(H,29,33)/t9-,15-,17+,20+/m0/s1.
What are the key properties of (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-hydroxyethyl)phenyl]-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
(2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-hydroxyethyl)phenyl]-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 497.41 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-hydroxyethyl)phenyl]-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 166161162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).