(2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-methoxyethoxy)phenyl]-N-[1-(1-hydroxy-2-methylpropan-2-yl)pyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

C24H30F5N3O5 — CID 166160205

IUPAC(2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-methoxyethoxy)phenyl]-N-[1-(1-hydroxy-2-methylpropan-2-yl)pyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCOCCOc1c([C@H]2[C@H](C(=O)Nc3cnn(C(C)(C)CO)c3)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F
InChIInChI=1S/C24H30F5N3O5/c1-13-17(15-6-7-16(25)18(26)19(15)36-9-8-35-5)20(37-23(13,4)24(27,28)29)21(34)31-14-10-30-32(11-14)22(2,3)12-33/h6-7,10-11,13,17,20,33H,8-9,12H2,1-5H3,(H,31,34)/t13-,17-,20+,23+/m0/s1
InChIKeyYQAUXOYXWSKMKM-WMWMVLGGSA-N
MW535.51 g/mol
LogP3.99
Rot. Bonds9

About (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-methoxyethoxy)phenyl]-N-[1-(1-hydroxy-2-methylpropan-2-yl)pyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

(2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-methoxyethoxy)phenyl]-N-[1-(1-hydroxy-2-methylpropan-2-yl)pyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 166160205) has the molecular formula C24H30F5N3O5 and a molecular weight of 535.51 g/mol. Its IUPAC name is (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-methoxyethoxy)phenyl]-N-[1-(1-hydroxy-2-methylpropan-2-yl)pyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-methoxyethoxy)phenyl]-N-[1-(1-hydroxy-2-methylpropan-2-yl)pyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID166160205
Molecular FormulaC24H30F5N3O5
Molecular Weight535.51 g/mol
Exact Mass535.21
IUPAC Name(2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-methoxyethoxy)phenyl]-N-[1-(1-hydroxy-2-methylpropan-2-yl)pyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCOCCOc1c([C@H]2[C@H](C(=O)Nc3cnn(C(C)(C)CO)c3)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F
InChIInChI=1S/C24H30F5N3O5/c1-13-17(15-6-7-16(25)18(26)19(15)36-9-8-35-5)20(37-23(13,4)24(27,28)29)21(34)31-14-10-30-32(11-14)22(2,3)12-33/h6-7,10-11,13,17,20,33H,8-9,12H2,1-5H3,(H,31,34)/t13-,17-,20+,23+/m0/s1
InChIKeyYQAUXOYXWSKMKM-WMWMVLGGSA-N
XLogP3.99
TPSA94.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.51
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-methoxyethoxy)phenyl]-N-[1-(1-hydroxy-2-methylpropan-2-yl)pyrazol-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-methoxyethoxy)phenyl]-N-[1-(1-hydroxy-2-methylpropan-2-yl)pyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-methoxyethoxy)phenyl]-N-[1-(1-hydroxy-2-methylpropan-2-yl)pyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (CID 166160205) is (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-methoxyethoxy)phenyl]-N-[1-(1-hydroxy-2-methylpropan-2-yl)pyrazol-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-methoxyethoxy)phenyl]-N-[1-(1-hydroxy-2-methylpropan-2-yl)pyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-methoxyethoxy)phenyl]-N-[1-(1-hydroxy-2-methylpropan-2-yl)pyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is COCCOc1c([C@H]2[C@H](C(=O)Nc3cnn(C(C)(C)CO)c3)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F.
What is the InChIKey of (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-methoxyethoxy)phenyl]-N-[1-(1-hydroxy-2-methylpropan-2-yl)pyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is YQAUXOYXWSKMKM-WMWMVLGGSA-N. The full InChI is InChI=1S/C24H30F5N3O5/c1-13-17(15-6-7-16(25)18(26)19(15)36-9-8-35-5)20(37-23(13,4)24(27,28)29)21(34)31-14-10-30-32(11-14)22(2,3)12-33/h6-7,10-11,13,17,20,33H,8-9,12H2,1-5H3,(H,31,34)/t13-,17-,20+,23+/m0/s1.
What are the key properties of (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-methoxyethoxy)phenyl]-N-[1-(1-hydroxy-2-methylpropan-2-yl)pyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
(2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-methoxyethoxy)phenyl]-N-[1-(1-hydroxy-2-methylpropan-2-yl)pyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 535.51 g/mol, XLogP of 3.99, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-methoxyethoxy)phenyl]-N-[1-(1-hydroxy-2-methylpropan-2-yl)pyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 166160205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).