(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]oxolane-3-carboxamide

C20H24F3N3O3 — CID 128969913

IUPAC(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]oxolane-3-carboxamide
SMILESCOCCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C20H24F3N3O3/c1-13(14-3-5-16(6-4-14)20(21,22)23)25-19(27)17-7-9-29-18(17)15-11-24-26(12-15)8-10-28-2/h3-6,11-13,17-18H,7-10H2,1-2H3,(H,25,27)/t13-,17+,18-/m1/s1
InChIKeyOGNCPVPGMFOOCH-JEBQAFNWSA-N
MW411.42 g/mol
LogP3.50
Rot. Bonds7

About (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]oxolane-3-carboxamide

(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]oxolane-3-carboxamide (PubChem CID 128969913) has the molecular formula C20H24F3N3O3 and a molecular weight of 411.42 g/mol. Its IUPAC name is (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]oxolane-3-carboxamide
PubChem CID128969913
Molecular FormulaC20H24F3N3O3
Molecular Weight411.42 g/mol
Exact Mass411.18
IUPAC Name(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]oxolane-3-carboxamide
SMILESCOCCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C20H24F3N3O3/c1-13(14-3-5-16(6-4-14)20(21,22)23)25-19(27)17-7-9-29-18(17)15-11-24-26(12-15)8-10-28-2/h3-6,11-13,17-18H,7-10H2,1-2H3,(H,25,27)/t13-,17+,18-/m1/s1
InChIKeyOGNCPVPGMFOOCH-JEBQAFNWSA-N
XLogP3.50
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]oxolane-3-carboxamide (CID 128969913) is (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]oxolane-3-carboxamide is COCCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]oxolane-3-carboxamide?
The InChIKey is OGNCPVPGMFOOCH-JEBQAFNWSA-N. The full InChI is InChI=1S/C20H24F3N3O3/c1-13(14-3-5-16(6-4-14)20(21,22)23)25-19(27)17-7-9-29-18(17)15-11-24-26(12-15)8-10-28-2/h3-6,11-13,17-18H,7-10H2,1-2H3,(H,25,27)/t13-,17+,18-/m1/s1.
What are the key properties of (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]oxolane-3-carboxamide?
(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]oxolane-3-carboxamide has a molecular weight of 411.42 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 128969913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).