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

C20H20F7N3O3 — CID 166160740

IUPAC(2R,3S,4S,5R)-3-[3,4-difluoro-2-(hydroxymethyl)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)c1CO
InChIInChI=1S/C20H20F7N3O3/c1-8-14(10-4-5-12(21)15(22)11(10)7-31)16(33-19(8,3)20(25,26)27)17(32)28-13-6-30(18(23)24)29-9(13)2/h4-6,8,14,16,18,31H,7H2,1-3H3,(H,28,32)/t8-,14-,16+,19+/m0/s1
InChIKeyIYVVFMLBTHKQLS-UBLTVLRPSA-N
MW483.38 g/mol
LogP4.44
Rot. Bonds5

About (2R,3S,4S,5R)-3-[3,4-difluoro-2-(hydroxymethyl)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-(hydroxymethyl)phenyl]-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 166160740) has the molecular formula C20H20F7N3O3 and a molecular weight of 483.38 g/mol. Its IUPAC name is (2R,3S,4S,5R)-3-[3,4-difluoro-2-(hydroxymethyl)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-(hydroxymethyl)phenyl]-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID166160740
Molecular FormulaC20H20F7N3O3
Molecular Weight483.38 g/mol
Exact Mass483.14
IUPAC Name(2R,3S,4S,5R)-3-[3,4-difluoro-2-(hydroxymethyl)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)c1CO
InChIInChI=1S/C20H20F7N3O3/c1-8-14(10-4-5-12(21)15(22)11(10)7-31)16(33-19(8,3)20(25,26)27)17(32)28-13-6-30(18(23)24)29-9(13)2/h4-6,8,14,16,18,31H,7H2,1-3H3,(H,28,32)/t8-,14-,16+,19+/m0/s1
InChIKeyIYVVFMLBTHKQLS-UBLTVLRPSA-N
XLogP4.44
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.38
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,3S,4S,5R)-3-[3,4-difluoro-2-(hydroxymethyl)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-(hydroxymethyl)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-(hydroxymethyl)phenyl]-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (CID 166160740) is (2R,3S,4S,5R)-3-[3,4-difluoro-2-(hydroxymethyl)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-(hydroxymethyl)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-(hydroxymethyl)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)c1CO.
What is the InChIKey of (2R,3S,4S,5R)-3-[3,4-difluoro-2-(hydroxymethyl)phenyl]-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is IYVVFMLBTHKQLS-UBLTVLRPSA-N. The full InChI is InChI=1S/C20H20F7N3O3/c1-8-14(10-4-5-12(21)15(22)11(10)7-31)16(33-19(8,3)20(25,26)27)17(32)28-13-6-30(18(23)24)29-9(13)2/h4-6,8,14,16,18,31H,7H2,1-3H3,(H,28,32)/t8-,14-,16+,19+/m0/s1.
What are the key properties of (2R,3S,4S,5R)-3-[3,4-difluoro-2-(hydroxymethyl)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-(hydroxymethyl)phenyl]-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 483.38 g/mol, XLogP of 4.44, 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-(hydroxymethyl)phenyl]-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 166160740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).