(4S)-4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C15H19F3N4O2 — CID 95346391

IUPAC(4S)-4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCn1cc([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)cn1
InChIInChI=1S/C15H19F3N4O2/c1-20-7-11(6-19-20)12-3-2-4-22(12)14(24)10-5-13(23)21(8-10)9-15(16,17)18/h6-7,10,12H,2-5,8-9H2,1H3/t10-,12+/m0/s1
InChIKeyCMALELGXIOISGN-CMPLNLGQSA-N
MW344.34 g/mol
LogP1.49
Rot. Bonds3

About (4S)-4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

(4S)-4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 95346391) has the molecular formula C15H19F3N4O2 and a molecular weight of 344.34 g/mol. Its IUPAC name is (4S)-4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID95346391
Molecular FormulaC15H19F3N4O2
Molecular Weight344.34 g/mol
Exact Mass344.15
IUPAC Name(4S)-4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCn1cc([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)cn1
InChIInChI=1S/C15H19F3N4O2/c1-20-7-11(6-19-20)12-3-2-4-22(12)14(24)10-5-13(23)21(8-10)9-15(16,17)18/h6-7,10,12H,2-5,8-9H2,1H3/t10-,12+/m0/s1
InChIKeyCMALELGXIOISGN-CMPLNLGQSA-N
XLogP1.49
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-1-(cyclopropylmethyl)-4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95336852
(4R)-1-(furan-2-ylmethyl)-4-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95312335
(4R)-4-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 95606236
(4S)-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 125130244
(4R)-4-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 95342489
cyclohexyl-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone
CID 92566960
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CID 100843589
(4S)-4-[(4R)-4-tert-butylazepane-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 99808600
[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119877995
(3-aminocyclopentyl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 119877945
2,2-dimethyl-1-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]propan-1-one
CID 92551768
(4S)-4-[(3S)-3-(methoxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 95346391) is (4S)-4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is Cn1cc([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)cn1.
What is the InChIKey of (4S)-4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is CMALELGXIOISGN-CMPLNLGQSA-N. The full InChI is InChI=1S/C15H19F3N4O2/c1-20-7-11(6-19-20)12-3-2-4-22(12)14(24)10-5-13(23)21(8-10)9-15(16,17)18/h6-7,10,12H,2-5,8-9H2,1H3/t10-,12+/m0/s1.
What are the key properties of (4S)-4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
(4S)-4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 344.34 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 95346391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).