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

C22H26F5N3O3 — CID 166160222

IUPAC(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCOc1c([C@H]2[C@H](C(=O)NCCc3c(C)n[nH]c3C)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F
InChIInChI=1S/C22H26F5N3O3/c1-10-16(14-6-7-15(23)17(24)18(14)32-5)19(33-21(10,4)22(25,26)27)20(31)28-9-8-13-11(2)29-30-12(13)3/h6-7,10,16,19H,8-9H2,1-5H3,(H,28,31)(H,29,30)/t10-,16-,19+,21+/m0/s1
InChIKeyLOKHKGPHLPKZGM-BKARRUBJSA-N
MW475.46 g/mol
LogP4.11
Rot. Bonds6

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

(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 166160222) has the molecular formula C22H26F5N3O3 and a molecular weight of 475.46 g/mol. Its IUPAC name is (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID166160222
Molecular FormulaC22H26F5N3O3
Molecular Weight475.46 g/mol
Exact Mass475.19
IUPAC Name(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCOc1c([C@H]2[C@H](C(=O)NCCc3c(C)n[nH]c3C)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F
InChIInChI=1S/C22H26F5N3O3/c1-10-16(14-6-7-15(23)17(24)18(14)32-5)19(33-21(10,4)22(25,26)27)20(31)28-9-8-13-11(2)29-30-12(13)3/h6-7,10,16,19H,8-9H2,1-5H3,(H,28,31)(H,29,30)/t10-,16-,19+,21+/m0/s1
InChIKeyLOKHKGPHLPKZGM-BKARRUBJSA-N
XLogP4.11
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.46
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-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-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (CID 166160222) is (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-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-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is COc1c([C@H]2[C@H](C(=O)NCCc3c(C)n[nH]c3C)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-methoxyphenyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is LOKHKGPHLPKZGM-BKARRUBJSA-N. The full InChI is InChI=1S/C22H26F5N3O3/c1-10-16(14-6-7-15(23)17(24)18(14)32-5)19(33-21(10,4)22(25,26)27)20(31)28-9-8-13-11(2)29-30-12(13)3/h6-7,10,16,19H,8-9H2,1-5H3,(H,28,31)(H,29,30)/t10-,16-,19+,21+/m0/s1.
What are the key properties of (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 475.46 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 166160222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).