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

C22H18ClF4N5O3 — CID 146226260

IUPAC(4R)-N-[1-(5-chloro-3-pyridinyl)-5-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide
SMILESC[C@H]1C(=O)NCC1C(=O)Nc1cc(-c2cc(F)cc(OCC(F)(F)F)c2)n(-c2cncc(Cl)c2)n1
InChIInChI=1S/C22H18ClF4N5O3/c1-11-17(9-29-20(11)33)21(34)30-19-6-18(32(31-19)15-4-13(23)7-28-8-15)12-2-14(24)5-16(3-12)35-10-22(25,26)27/h2-8,11,17H,9-10H2,1H3,(H,29,33)(H,30,31,34)/t11-,17?/m1/s1
InChIKeyDPEOFTIZMNUSQS-VCQTYVLVSA-N
MW511.86 g/mol
LogP3.99
Rot. Bonds6

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

(4R)-N-[1-(5-chloro-3-pyridinyl)-5-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 146226260) has the molecular formula C22H18ClF4N5O3 and a molecular weight of 511.86 g/mol. Its IUPAC name is (4R)-N-[1-(5-chloro-3-pyridinyl)-5-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(4R)-N-[1-(5-chloro-3-pyridinyl)-5-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID146226260
Molecular FormulaC22H18ClF4N5O3
Molecular Weight511.86 g/mol
Exact Mass511.10
IUPAC Name(4R)-N-[1-(5-chloro-3-pyridinyl)-5-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide
SMILESC[C@H]1C(=O)NCC1C(=O)Nc1cc(-c2cc(F)cc(OCC(F)(F)F)c2)n(-c2cncc(Cl)c2)n1
InChIInChI=1S/C22H18ClF4N5O3/c1-11-17(9-29-20(11)33)21(34)30-19-6-18(32(31-19)15-4-13(23)7-28-8-15)12-2-14(24)5-16(3-12)35-10-22(25,26)27/h2-8,11,17H,9-10H2,1H3,(H,29,33)(H,30,31,34)/t11-,17?/m1/s1
InChIKeyDPEOFTIZMNUSQS-VCQTYVLVSA-N
XLogP3.99
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.86
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4R)-N-[1-(5-chloro-3-pyridinyl)-5-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

(3R,4R)-N-[5-[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]-1-pyrazin-2-ylpyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide
CID 146226309
(3R,4S)-4-(aminomethyl)-N-[5-[3-(1,1-difluoroethoxy)-5-fluorophenyl]-1-[5-(2-phosphanylpropan-2-yl)-3-pyridinyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 170052516
(4R)-N-[5-[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]-1-(trifluoromethyl)pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide
CID 170051050
(3R,4R)-4-methyl-5-oxo-N-[1-phenyl-5-[3-(2,2,2-trifluoroethoxymethyl)phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 89476636
1-(3-fluorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-amine;(3R,4R)-N-[1-(3-fluorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide;(3R,4R)-4-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 158410213
(3R,4R)-N-[5-(3-tert-butylphenyl)-1-(2-chlorophenyl)pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide
CID 90657009
(3R)-N-[1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide
CID 162563463
(3S)-N-[5-[3-fluoro-5-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 71287884
(3R)-5-oxo-N-[1-phenyl-5-[3-(3,3,3-trifluoropropoxy)phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 90657001
(3R,4R)-N-[5-[3-(1,1-difluoropropyl)phenyl]-1-(oxan-4-yl)pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide
CID 89476679
(3R)-N-[1-(2-chlorophenyl)-5-[3-(2,2,2-trifluoroethoxy)phenyl]pyrazol-3-yl]-5-hydroxypyrrolidine-3-carboxamide
CID 162563462
(3S)-N-[5-[3-chloro-5-[(1,1,1-trifluoro-2-methylbut-3-en-2-yl)oxymethyl]phenyl]-1-(4-fluorophenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 163981176

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[1-(5-chloro-3-pyridinyl)-5-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (4R)-N-[1-(5-chloro-3-pyridinyl)-5-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide (CID 146226260) is (4R)-N-[1-(5-chloro-3-pyridinyl)-5-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (4R)-N-[1-(5-chloro-3-pyridinyl)-5-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (4R)-N-[1-(5-chloro-3-pyridinyl)-5-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide is C[C@H]1C(=O)NCC1C(=O)Nc1cc(-c2cc(F)cc(OCC(F)(F)F)c2)n(-c2cncc(Cl)c2)n1.
What is the InChIKey of (4R)-N-[1-(5-chloro-3-pyridinyl)-5-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DPEOFTIZMNUSQS-VCQTYVLVSA-N. The full InChI is InChI=1S/C22H18ClF4N5O3/c1-11-17(9-29-20(11)33)21(34)30-19-6-18(32(31-19)15-4-13(23)7-28-8-15)12-2-14(24)5-16(3-12)35-10-22(25,26)27/h2-8,11,17H,9-10H2,1H3,(H,29,33)(H,30,31,34)/t11-,17?/m1/s1.
What are the key properties of (4R)-N-[1-(5-chloro-3-pyridinyl)-5-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide?
(4R)-N-[1-(5-chloro-3-pyridinyl)-5-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 511.86 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[1-(5-chloro-3-pyridinyl)-5-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 146226260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).