(2S)-5-oxo-N-[1-phenyl-5-[3-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]pyrrolidine-2-carboxamide

C24H23F3N4O3 — CID 89476628

IUPAC(2S)-5-oxo-N-[1-phenyl-5-[3-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]pyrrolidine-2-carboxamide
SMILESC[C@@H](OCc1cccc(-c2cc(NC(=O)[C@@H]3CCC(=O)N3)nn2-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C24H23F3N4O3/c1-15(24(25,26)27)34-14-16-6-5-7-17(12-16)20-13-21(29-23(33)19-10-11-22(32)28-19)30-31(20)18-8-3-2-4-9-18/h2-9,12-13,15,19H,10-11,14H2,1H3,(H,28,32)(H,29,30,33)/t15-,19+/m1/s1
InChIKeyHFXJPHLTOHSYAU-BEFAXECRSA-N
MW472.47 g/mol
LogP4.22
Rot. Bonds7

About (2S)-5-oxo-N-[1-phenyl-5-[3-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]pyrrolidine-2-carboxamide

(2S)-5-oxo-N-[1-phenyl-5-[3-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]pyrrolidine-2-carboxamide (PubChem CID 89476628) has the molecular formula C24H23F3N4O3 and a molecular weight of 472.47 g/mol. Its IUPAC name is (2S)-5-oxo-N-[1-phenyl-5-[3-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-5-oxo-N-[1-phenyl-5-[3-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]pyrrolidine-2-carboxamide
PubChem CID89476628
Molecular FormulaC24H23F3N4O3
Molecular Weight472.47 g/mol
Exact Mass472.17
IUPAC Name(2S)-5-oxo-N-[1-phenyl-5-[3-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]pyrrolidine-2-carboxamide
SMILESC[C@@H](OCc1cccc(-c2cc(NC(=O)[C@@H]3CCC(=O)N3)nn2-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C24H23F3N4O3/c1-15(24(25,26)27)34-14-16-6-5-7-17(12-16)20-13-21(29-23(33)19-10-11-22(32)28-19)30-31(20)18-8-3-2-4-9-18/h2-9,12-13,15,19H,10-11,14H2,1H3,(H,28,32)(H,29,30,33)/t15-,19+/m1/s1
InChIKeyHFXJPHLTOHSYAU-BEFAXECRSA-N
XLogP4.22
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.47
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-5-oxo-N-[1-phenyl-5-[3-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]pyrrolidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-oxo-N-[1-phenyl-5-[3-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-5-oxo-N-[1-phenyl-5-[3-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]pyrrolidine-2-carboxamide (CID 89476628) is (2S)-5-oxo-N-[1-phenyl-5-[3-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-5-oxo-N-[1-phenyl-5-[3-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-5-oxo-N-[1-phenyl-5-[3-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]pyrrolidine-2-carboxamide is C[C@@H](OCc1cccc(-c2cc(NC(=O)[C@@H]3CCC(=O)N3)nn2-c2ccccc2)c1)C(F)(F)F.
What is the InChIKey of (2S)-5-oxo-N-[1-phenyl-5-[3-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]pyrrolidine-2-carboxamide?
The InChIKey is HFXJPHLTOHSYAU-BEFAXECRSA-N. The full InChI is InChI=1S/C24H23F3N4O3/c1-15(24(25,26)27)34-14-16-6-5-7-17(12-16)20-13-21(29-23(33)19-10-11-22(32)28-19)30-31(20)18-8-3-2-4-9-18/h2-9,12-13,15,19H,10-11,14H2,1H3,(H,28,32)(H,29,30,33)/t15-,19+/m1/s1.
What are the key properties of (2S)-5-oxo-N-[1-phenyl-5-[3-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]pyrrolidine-2-carboxamide?
(2S)-5-oxo-N-[1-phenyl-5-[3-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]pyrrolidine-2-carboxamide has a molecular weight of 472.47 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-oxo-N-[1-phenyl-5-[3-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 89476628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).