(4R,5R)-4-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one

C19H26N4O2 — CID 129483915

IUPAC(4R,5R)-4-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
SMILESCOC[C@H](Cc1ccccc1)N[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C
InChIInChI=1S/C19H26N4O2/c1-22-18(24)12-16(19(22)17-9-10-20-23(17)2)21-15(13-25-3)11-14-7-5-4-6-8-14/h4-10,15-16,19,21H,11-13H2,1-3H3/t15-,16+,19+/m0/s1
InChIKeyGMXHJZQJVGDLFI-FRQCXROJSA-N
MW342.44 g/mol
LogP1.54
Rot. Bonds7

About (4R,5R)-4-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one

(4R,5R)-4-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one (PubChem CID 129483915) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (4R,5R)-4-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-4-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
PubChem CID129483915
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(4R,5R)-4-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
SMILESCOC[C@H](Cc1ccccc1)N[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C
InChIInChI=1S/C19H26N4O2/c1-22-18(24)12-16(19(22)17-9-10-20-23(17)2)21-15(13-25-3)11-14-7-5-4-6-8-14/h4-10,15-16,19,21H,11-13H2,1-3H3/t15-,16+,19+/m0/s1
InChIKeyGMXHJZQJVGDLFI-FRQCXROJSA-N
XLogP1.54
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one?
The IUPAC name of (4R,5R)-4-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one (CID 129483915) is (4R,5R)-4-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for (4R,5R)-4-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one?
The canonical SMILES for (4R,5R)-4-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one is COC[C@H](Cc1ccccc1)N[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C.
What is the InChIKey of (4R,5R)-4-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one?
The InChIKey is GMXHJZQJVGDLFI-FRQCXROJSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-22-18(24)12-16(19(22)17-9-10-20-23(17)2)21-15(13-25-3)11-14-7-5-4-6-8-14/h4-10,15-16,19,21H,11-13H2,1-3H3/t15-,16+,19+/m0/s1.
What are the key properties of (4R,5R)-4-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one?
(4R,5R)-4-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one has a molecular weight of 342.44 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 129483915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).