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

C24H23F3N4O3 — CID 89476715

IUPAC(3S)-5-oxo-N-[1-phenyl-5-[3-[[(2S)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide
SMILESC[C@H](OCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C24H23F3N4O3/c1-15(24(25,26)27)34-14-16-6-5-7-17(10-16)20-12-21(29-23(33)18-11-22(32)28-13-18)30-31(20)19-8-3-2-4-9-19/h2-10,12,15,18H,11,13-14H2,1H3,(H,28,32)(H,29,30,33)/t15-,18-/m0/s1
InChIKeyOBVIVIWWUQGMAT-YJBOKZPZSA-N
MW472.47 g/mol
LogP4.08
Rot. Bonds7

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

(3S)-5-oxo-N-[1-phenyl-5-[3-[[(2S)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide (PubChem CID 89476715) has the molecular formula C24H23F3N4O3 and a molecular weight of 472.47 g/mol. Its IUPAC name is (3S)-5-oxo-N-[1-phenyl-5-[3-[[(2S)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-5-oxo-N-[1-phenyl-5-[3-[[(2S)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide
PubChem CID89476715
Molecular FormulaC24H23F3N4O3
Molecular Weight472.47 g/mol
Exact Mass472.17
IUPAC Name(3S)-5-oxo-N-[1-phenyl-5-[3-[[(2S)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide
SMILESC[C@H](OCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C24H23F3N4O3/c1-15(24(25,26)27)34-14-16-6-5-7-17(10-16)20-12-21(29-23(33)18-11-22(32)28-13-18)30-31(20)19-8-3-2-4-9-19/h2-10,12,15,18H,11,13-14H2,1H3,(H,28,32)(H,29,30,33)/t15-,18-/m0/s1
InChIKeyOBVIVIWWUQGMAT-YJBOKZPZSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-oxo-N-[1-phenyl-5-[3-[[(2S)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-5-oxo-N-[1-phenyl-5-[3-[[(2S)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide (CID 89476715) is (3S)-5-oxo-N-[1-phenyl-5-[3-[[(2S)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-5-oxo-N-[1-phenyl-5-[3-[[(2S)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-5-oxo-N-[1-phenyl-5-[3-[[(2S)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide is C[C@H](OCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1)C(F)(F)F.
What is the InChIKey of (3S)-5-oxo-N-[1-phenyl-5-[3-[[(2S)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide?
The InChIKey is OBVIVIWWUQGMAT-YJBOKZPZSA-N. The full InChI is InChI=1S/C24H23F3N4O3/c1-15(24(25,26)27)34-14-16-6-5-7-17(10-16)20-12-21(29-23(33)18-11-22(32)28-13-18)30-31(20)19-8-3-2-4-9-19/h2-10,12,15,18H,11,13-14H2,1H3,(H,28,32)(H,29,30,33)/t15-,18-/m0/s1.
What are the key properties of (3S)-5-oxo-N-[1-phenyl-5-[3-[[(2S)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide?
(3S)-5-oxo-N-[1-phenyl-5-[3-[[(2S)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide has a molecular weight of 472.47 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-oxo-N-[1-phenyl-5-[3-[[(2S)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 89476715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).