(2R,3S)-2-(3-fluorophenyl)-1-methyl-5-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide

C17H16F4N4O2 — CID 95741333

IUPAC(2R,3S)-2-(3-fluorophenyl)-1-methyl-5-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
SMILESCN1C(=O)C[C@H](C(=O)Nc2cnn(CC(F)(F)F)c2)[C@@H]1c1cccc(F)c1
InChIInChI=1S/C17H16F4N4O2/c1-24-14(26)6-13(15(24)10-3-2-4-11(18)5-10)16(27)23-12-7-22-25(8-12)9-17(19,20)21/h2-5,7-8,13,15H,6,9H2,1H3,(H,23,27)/t13-,15-/m0/s1
InChIKeyNLJIPEASEHDXIS-ZFWWWQNUSA-N
MW384.33 g/mol
LogP2.74
Rot. Bonds4

About (2R,3S)-2-(3-fluorophenyl)-1-methyl-5-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide

(2R,3S)-2-(3-fluorophenyl)-1-methyl-5-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide (PubChem CID 95741333) has the molecular formula C17H16F4N4O2 and a molecular weight of 384.33 g/mol. Its IUPAC name is (2R,3S)-2-(3-fluorophenyl)-1-methyl-5-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-(3-fluorophenyl)-1-methyl-5-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
PubChem CID95741333
Molecular FormulaC17H16F4N4O2
Molecular Weight384.33 g/mol
Exact Mass384.12
IUPAC Name(2R,3S)-2-(3-fluorophenyl)-1-methyl-5-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
SMILESCN1C(=O)C[C@H](C(=O)Nc2cnn(CC(F)(F)F)c2)[C@@H]1c1cccc(F)c1
InChIInChI=1S/C17H16F4N4O2/c1-24-14(26)6-13(15(24)10-3-2-4-11(18)5-10)16(27)23-12-7-22-25(8-12)9-17(19,20)21/h2-5,7-8,13,15H,6,9H2,1H3,(H,23,27)/t13-,15-/m0/s1
InChIKeyNLJIPEASEHDXIS-ZFWWWQNUSA-N
XLogP2.74
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-2-(3-fluorophenyl)-1-methyl-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 52898847
(2S,3S)-2-(3-fluorophenyl)-1-methyl-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 52898848
(2S,3S)-N-butyl-2-(3-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95740531
(2S,3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95740514
(2S,3S)-3-(3-fluorophenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide
CID 95739882
2-(3-fluorophenyl)-1-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 71689628
(2R,3R)-N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 74225499
(4R,5R)-5-(3-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 95740527
(4S,5S)-5-(3-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 95740528
(2R,3R)-N-(3-cyanophenyl)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95740503
N-(2-amino-2-methylpropyl)-2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 119628158
(2S,3R)-N-(3-chlorophenyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 95346327

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(3-fluorophenyl)-1-methyl-5-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (2R,3S)-2-(3-fluorophenyl)-1-methyl-5-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide (CID 95741333) is (2R,3S)-2-(3-fluorophenyl)-1-methyl-5-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-(3-fluorophenyl)-1-methyl-5-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-(3-fluorophenyl)-1-methyl-5-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide is CN1C(=O)C[C@H](C(=O)Nc2cnn(CC(F)(F)F)c2)[C@@H]1c1cccc(F)c1.
What is the InChIKey of (2R,3S)-2-(3-fluorophenyl)-1-methyl-5-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide?
The InChIKey is NLJIPEASEHDXIS-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H16F4N4O2/c1-24-14(26)6-13(15(24)10-3-2-4-11(18)5-10)16(27)23-12-7-22-25(8-12)9-17(19,20)21/h2-5,7-8,13,15H,6,9H2,1H3,(H,23,27)/t13-,15-/m0/s1.
What are the key properties of (2R,3S)-2-(3-fluorophenyl)-1-methyl-5-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide?
(2R,3S)-2-(3-fluorophenyl)-1-methyl-5-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide has a molecular weight of 384.33 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(3-fluorophenyl)-1-methyl-5-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 95741333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).