(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

C21H24F5N3O4 — CID 166161180

IUPAC(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCOCc1cc(CNC(=O)[C@@H]2O[C@@](C)(C(F)(F)F)[C@@H](C)[C@H]2c2ccc(F)c(F)c2OC)[nH]n1
InChIInChI=1S/C21H24F5N3O4/c1-10-15(13-5-6-14(22)16(23)17(13)32-4)18(33-20(10,2)21(24,25)26)19(30)27-8-11-7-12(9-31-3)29-28-11/h5-7,10,15,18H,8-9H2,1-4H3,(H,27,30)(H,28,29)/t10-,15-,18+,20+/m0/s1
InChIKeyCYAURLRKCQGOBA-WJVRSIEWSA-N
MW477.43 g/mol
LogP3.60
Rot. Bonds7

About (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 166161180) has the molecular formula C21H24F5N3O4 and a molecular weight of 477.43 g/mol. Its IUPAC name is (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID166161180
Molecular FormulaC21H24F5N3O4
Molecular Weight477.43 g/mol
Exact Mass477.17
IUPAC Name(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCOCc1cc(CNC(=O)[C@@H]2O[C@@](C)(C(F)(F)F)[C@@H](C)[C@H]2c2ccc(F)c(F)c2OC)[nH]n1
InChIInChI=1S/C21H24F5N3O4/c1-10-15(13-5-6-14(22)16(23)17(13)32-4)18(33-20(10,2)21(24,25)26)19(30)27-8-11-7-12(9-31-3)29-28-11/h5-7,10,15,18H,8-9H2,1-4H3,(H,27,30)(H,28,29)/t10-,15-,18+,20+/m0/s1
InChIKeyCYAURLRKCQGOBA-WJVRSIEWSA-N
XLogP3.60
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.43
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-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-methoxyphenyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (CID 166161180) is (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is COCc1cc(CNC(=O)[C@@H]2O[C@@](C)(C(F)(F)F)[C@@H](C)[C@H]2c2ccc(F)c(F)c2OC)[nH]n1.
What is the InChIKey of (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is CYAURLRKCQGOBA-WJVRSIEWSA-N. The full InChI is InChI=1S/C21H24F5N3O4/c1-10-15(13-5-6-14(22)16(23)17(13)32-4)18(33-20(10,2)21(24,25)26)19(30)27-8-11-7-12(9-31-3)29-28-11/h5-7,10,15,18H,8-9H2,1-4H3,(H,27,30)(H,28,29)/t10-,15-,18+,20+/m0/s1.
What are the key properties of (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 477.43 g/mol, XLogP of 3.60, 7 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-methoxyphenyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 166161180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).