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

C21H22F7N3O3 — CID 167211655

IUPAC(2R,3S,4S,5R)-3-[3,4-difluoro-2-(1-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)c1C(C)O
InChIInChI=1S/C21H22F7N3O3/c1-8-14(11-5-6-12(22)16(23)15(11)10(3)32)17(34-20(8,4)21(26,27)28)18(33)29-13-7-31(19(24)25)30-9(13)2/h5-8,10,14,17,19,32H,1-4H3,(H,29,33)/t8-,10?,14-,17+,20+/m0/s1
InChIKeyLQNOLISBQDDYCH-PQMSNBMQSA-N
MW497.41 g/mol
LogP5.00
Rot. Bonds5

About (2R,3S,4S,5R)-3-[3,4-difluoro-2-(1-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-(1-hydroxyethyl)phenyl]-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 167211655) 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-(1-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-(1-hydroxyethyl)phenyl]-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID167211655
Molecular FormulaC21H22F7N3O3
Molecular Weight497.41 g/mol
Exact Mass497.15
IUPAC Name(2R,3S,4S,5R)-3-[3,4-difluoro-2-(1-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)c1C(C)O
InChIInChI=1S/C21H22F7N3O3/c1-8-14(11-5-6-12(22)16(23)15(11)10(3)32)17(34-20(8,4)21(26,27)28)18(33)29-13-7-31(19(24)25)30-9(13)2/h5-8,10,14,17,19,32H,1-4H3,(H,29,33)/t8-,10?,14-,17+,20+/m0/s1
InChIKeyLQNOLISBQDDYCH-PQMSNBMQSA-N
XLogP5.00
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.41
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,3S,4S,5R)-3-[3,4-difluoro-2-(1-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-(1-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-(1-hydroxyethyl)phenyl]-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (CID 167211655) is (2R,3S,4S,5R)-3-[3,4-difluoro-2-(1-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-(1-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-(1-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)c1C(C)O.
What is the InChIKey of (2R,3S,4S,5R)-3-[3,4-difluoro-2-(1-hydroxyethyl)phenyl]-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is LQNOLISBQDDYCH-PQMSNBMQSA-N. The full InChI is InChI=1S/C21H22F7N3O3/c1-8-14(11-5-6-12(22)16(23)15(11)10(3)32)17(34-20(8,4)21(26,27)28)18(33)29-13-7-31(19(24)25)30-9(13)2/h5-8,10,14,17,19,32H,1-4H3,(H,29,33)/t8-,10?,14-,17+,20+/m0/s1.
What are the key properties of (2R,3S,4S,5R)-3-[3,4-difluoro-2-(1-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-(1-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 5.00, 5 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-(1-hydroxyethyl)phenyl]-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 167211655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).