(3R,4R)-N-[1-(4-fluoro-2-methylphenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide

C23H20F4N4O3 — CID 89476565

IUPAC(3R,4R)-N-[1-(4-fluoro-2-methylphenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(F)ccc1-n1nc(NC(=O)[C@H]2CNC(=O)[C@@H]2C)cc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C23H20F4N4O3/c1-12-8-15(24)6-7-18(12)31-19(14-4-3-5-16(9-14)34-23(25,26)27)10-20(30-31)29-22(33)17-11-28-21(32)13(17)2/h3-10,13,17H,11H2,1-2H3,(H,28,32)(H,29,30,33)/t13-,17+/m1/s1
InChIKeyIJSJSGHUTDOXJT-DYVFJYSZSA-N
MW476.43 g/mol
LogP4.21
Rot. Bonds5

About (3R,4R)-N-[1-(4-fluoro-2-methylphenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide

(3R,4R)-N-[1-(4-fluoro-2-methylphenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 89476565) has the molecular formula C23H20F4N4O3 and a molecular weight of 476.43 g/mol. Its IUPAC name is (3R,4R)-N-[1-(4-fluoro-2-methylphenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N-[1-(4-fluoro-2-methylphenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID89476565
Molecular FormulaC23H20F4N4O3
Molecular Weight476.43 g/mol
Exact Mass476.15
IUPAC Name(3R,4R)-N-[1-(4-fluoro-2-methylphenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(F)ccc1-n1nc(NC(=O)[C@H]2CNC(=O)[C@@H]2C)cc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C23H20F4N4O3/c1-12-8-15(24)6-7-18(12)31-19(14-4-3-5-16(9-14)34-23(25,26)27)10-20(30-31)29-22(33)17-11-28-21(32)13(17)2/h3-10,13,17H,11H2,1-2H3,(H,28,32)(H,29,30,33)/t13-,17+/m1/s1
InChIKeyIJSJSGHUTDOXJT-DYVFJYSZSA-N
XLogP4.21
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.43
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-[1-(4-fluoro-2-methylphenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R,4R)-N-[1-(4-fluoro-2-methylphenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide (CID 89476565) is (3R,4R)-N-[1-(4-fluoro-2-methylphenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-N-[1-(4-fluoro-2-methylphenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4R)-N-[1-(4-fluoro-2-methylphenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide is Cc1cc(F)ccc1-n1nc(NC(=O)[C@H]2CNC(=O)[C@@H]2C)cc1-c1cccc(OC(F)(F)F)c1.
What is the InChIKey of (3R,4R)-N-[1-(4-fluoro-2-methylphenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IJSJSGHUTDOXJT-DYVFJYSZSA-N. The full InChI is InChI=1S/C23H20F4N4O3/c1-12-8-15(24)6-7-18(12)31-19(14-4-3-5-16(9-14)34-23(25,26)27)10-20(30-31)29-22(33)17-11-28-21(32)13(17)2/h3-10,13,17H,11H2,1-2H3,(H,28,32)(H,29,30,33)/t13-,17+/m1/s1.
What are the key properties of (3R,4R)-N-[1-(4-fluoro-2-methylphenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide?
(3R,4R)-N-[1-(4-fluoro-2-methylphenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 476.43 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-[1-(4-fluoro-2-methylphenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 89476565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).