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

C21H20F7N3O2 — CID 166160167

IUPAC(2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-(2-ethenyl-3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESC=Cc1c([C@H]2[C@H](C(=O)Nc3cn(C(F)F)nc3C)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F
InChIInChI=1S/C21H20F7N3O2/c1-5-11-12(6-7-13(22)16(11)23)15-9(2)20(4,21(26,27)28)33-17(15)18(32)29-14-8-31(19(24)25)30-10(14)3/h5-9,15,17,19H,1H2,2-4H3,(H,29,32)/t9-,15-,17+,20+/m0/s1
InChIKeyTVZUAZLZZALBQA-CIQCAONSSA-N
MW479.40 g/mol
LogP5.59
Rot. Bonds5

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

(2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-(2-ethenyl-3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 166160167) has the molecular formula C21H20F7N3O2 and a molecular weight of 479.40 g/mol. Its IUPAC name is (2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-(2-ethenyl-3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-(2-ethenyl-3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID166160167
Molecular FormulaC21H20F7N3O2
Molecular Weight479.40 g/mol
Exact Mass479.14
IUPAC Name(2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-(2-ethenyl-3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESC=Cc1c([C@H]2[C@H](C(=O)Nc3cn(C(F)F)nc3C)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F
InChIInChI=1S/C21H20F7N3O2/c1-5-11-12(6-7-13(22)16(11)23)15-9(2)20(4,21(26,27)28)33-17(15)18(32)29-14-8-31(19(24)25)30-10(14)3/h5-9,15,17,19H,1H2,2-4H3,(H,29,32)/t9-,15-,17+,20+/m0/s1
InChIKeyTVZUAZLZZALBQA-CIQCAONSSA-N
XLogP5.59
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.40
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

CID 164637759
CID 164637759
CID 19493567
CID 19493567
CID 166160415
CID 166160415
CID 166160513
CID 166160513
CID 166160554
CID 166160554
CID 166160703
CID 166160703
CID 166160738
CID 166160738
CID 166160740
CID 166160740
CID 166160876
CID 166160876
CID 166160942
CID 166160942
CID 166161089
CID 166161089
CID 166161154
CID 166161154

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-(2-ethenyl-3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of (2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-(2-ethenyl-3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (CID 166160167) is (2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-(2-ethenyl-3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-(2-ethenyl-3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for (2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-(2-ethenyl-3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is C=Cc1c([C@H]2[C@H](C(=O)Nc3cn(C(F)F)nc3C)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F.
What is the InChIKey of (2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-(2-ethenyl-3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is TVZUAZLZZALBQA-CIQCAONSSA-N. The full InChI is InChI=1S/C21H20F7N3O2/c1-5-11-12(6-7-13(22)16(11)23)15-9(2)20(4,21(26,27)28)33-17(15)18(32)29-14-8-31(19(24)25)30-10(14)3/h5-9,15,17,19H,1H2,2-4H3,(H,29,32)/t9-,15-,17+,20+/m0/s1.
What are the key properties of (2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-(2-ethenyl-3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
(2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-(2-ethenyl-3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 479.40 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-(2-ethenyl-3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 166160167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).