(3R,4R)-4-methyl-5-oxo-N-[5-[3-(trifluoromethoxy)phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]pyrrolidine-3-carboxamide

C22H17F6N5O3 — CID 146226303

IUPAC(3R,4R)-4-methyl-5-oxo-N-[5-[3-(trifluoromethoxy)phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]pyrrolidine-3-carboxamide
SMILESC[C@H]1C(=O)NC[C@@H]1C(=O)Nc1cc(-c2cccc(OC(F)(F)F)c2)n(-c2cncc(C(F)(F)F)c2)n1
InChIInChI=1S/C22H17F6N5O3/c1-11-16(10-30-19(11)34)20(35)31-18-7-17(12-3-2-4-15(5-12)36-22(26,27)28)33(32-18)14-6-13(8-29-9-14)21(23,24)25/h2-9,11,16H,10H2,1H3,(H,30,34)(H,31,32,35)/t11-,16+/m1/s1
InChIKeyZAWGBPMCJVXCLO-BZNIZROVSA-N
MW513.40 g/mol
LogP4.17
Rot. Bonds5

About (3R,4R)-4-methyl-5-oxo-N-[5-[3-(trifluoromethoxy)phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]pyrrolidine-3-carboxamide

(3R,4R)-4-methyl-5-oxo-N-[5-[3-(trifluoromethoxy)phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]pyrrolidine-3-carboxamide (PubChem CID 146226303) has the molecular formula C22H17F6N5O3 and a molecular weight of 513.40 g/mol. Its IUPAC name is (3R,4R)-4-methyl-5-oxo-N-[5-[3-(trifluoromethoxy)phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-4-methyl-5-oxo-N-[5-[3-(trifluoromethoxy)phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]pyrrolidine-3-carboxamide
PubChem CID146226303
Molecular FormulaC22H17F6N5O3
Molecular Weight513.40 g/mol
Exact Mass513.12
IUPAC Name(3R,4R)-4-methyl-5-oxo-N-[5-[3-(trifluoromethoxy)phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]pyrrolidine-3-carboxamide
SMILESC[C@H]1C(=O)NC[C@@H]1C(=O)Nc1cc(-c2cccc(OC(F)(F)F)c2)n(-c2cncc(C(F)(F)F)c2)n1
InChIInChI=1S/C22H17F6N5O3/c1-11-16(10-30-19(11)34)20(35)31-18-7-17(12-3-2-4-15(5-12)36-22(26,27)28)33(32-18)14-6-13(8-29-9-14)21(23,24)25/h2-9,11,16H,10H2,1H3,(H,30,34)(H,31,32,35)/t11-,16+/m1/s1
InChIKeyZAWGBPMCJVXCLO-BZNIZROVSA-N
XLogP4.17
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.40
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R,4R)-4-methyl-5-oxo-N-[5-[3-(trifluoromethoxy)phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-methyl-5-oxo-N-[5-[3-(trifluoromethoxy)phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4R)-4-methyl-5-oxo-N-[5-[3-(trifluoromethoxy)phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]pyrrolidine-3-carboxamide (CID 146226303) is (3R,4R)-4-methyl-5-oxo-N-[5-[3-(trifluoromethoxy)phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-4-methyl-5-oxo-N-[5-[3-(trifluoromethoxy)phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4R)-4-methyl-5-oxo-N-[5-[3-(trifluoromethoxy)phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]pyrrolidine-3-carboxamide is C[C@H]1C(=O)NC[C@@H]1C(=O)Nc1cc(-c2cccc(OC(F)(F)F)c2)n(-c2cncc(C(F)(F)F)c2)n1.
What is the InChIKey of (3R,4R)-4-methyl-5-oxo-N-[5-[3-(trifluoromethoxy)phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]pyrrolidine-3-carboxamide?
The InChIKey is ZAWGBPMCJVXCLO-BZNIZROVSA-N. The full InChI is InChI=1S/C22H17F6N5O3/c1-11-16(10-30-19(11)34)20(35)31-18-7-17(12-3-2-4-15(5-12)36-22(26,27)28)33(32-18)14-6-13(8-29-9-14)21(23,24)25/h2-9,11,16H,10H2,1H3,(H,30,34)(H,31,32,35)/t11-,16+/m1/s1.
What are the key properties of (3R,4R)-4-methyl-5-oxo-N-[5-[3-(trifluoromethoxy)phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]pyrrolidine-3-carboxamide?
(3R,4R)-4-methyl-5-oxo-N-[5-[3-(trifluoromethoxy)phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]pyrrolidine-3-carboxamide has a molecular weight of 513.40 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-methyl-5-oxo-N-[5-[3-(trifluoromethoxy)phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 146226303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).