(4R)-4-[[(1R)-1-(2-methylpyrazol-3-yl)ethyl]amino]-1-(2-phenoxyethyl)pyrrolidin-2-one

C18H24N4O2 — CID 124625420

IUPAC(4R)-4-[[(1R)-1-(2-methylpyrazol-3-yl)ethyl]amino]-1-(2-phenoxyethyl)pyrrolidin-2-one
SMILESC[C@@H](N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccnn1C
InChIInChI=1S/C18H24N4O2/c1-14(17-8-9-19-21(17)2)20-15-12-18(23)22(13-15)10-11-24-16-6-4-3-5-7-16/h3-9,14-15,20H,10-13H2,1-2H3/t14-,15-/m1/s1
InChIKeyPSHITCUIMICIMJ-HUUCEWRRSA-N
MW328.42 g/mol
LogP1.75
Rot. Bonds7

About (4R)-4-[[(1R)-1-(2-methylpyrazol-3-yl)ethyl]amino]-1-(2-phenoxyethyl)pyrrolidin-2-one

(4R)-4-[[(1R)-1-(2-methylpyrazol-3-yl)ethyl]amino]-1-(2-phenoxyethyl)pyrrolidin-2-one (PubChem CID 124625420) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (4R)-4-[[(1R)-1-(2-methylpyrazol-3-yl)ethyl]amino]-1-(2-phenoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[[(1R)-1-(2-methylpyrazol-3-yl)ethyl]amino]-1-(2-phenoxyethyl)pyrrolidin-2-one
PubChem CID124625420
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(4R)-4-[[(1R)-1-(2-methylpyrazol-3-yl)ethyl]amino]-1-(2-phenoxyethyl)pyrrolidin-2-one
SMILESC[C@@H](N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccnn1C
InChIInChI=1S/C18H24N4O2/c1-14(17-8-9-19-21(17)2)20-15-12-18(23)22(13-15)10-11-24-16-6-4-3-5-7-16/h3-9,14-15,20H,10-13H2,1-2H3/t14-,15-/m1/s1
InChIKeyPSHITCUIMICIMJ-HUUCEWRRSA-N
XLogP1.75
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R)-4-[[(1R)-1-(2-methylpyrazol-3-yl)ethyl]amino]-1-(2-phenoxyethyl)pyrrolidin-2-one with MolForge

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Related Compounds

(2R)-2-amino-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]propanamide;hydrochloride
CID 119334873
3-amino-2-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]butanamide;hydrochloride
CID 120501604
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenoxypropan-1-amine
CID 106757757
2-amino-3-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]pentanamide
CID 119803358
2-amino-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]acetamide;hydrochloride
CID 119334857
N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]prop-2-enamide
CID 146077438
ethyl N-[(2S)-3-methyl-1-oxo-1-[[(3R)-5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]amino]butan-2-yl]carbamate
CID 96509307
2-(2-methoxyethylamino)-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]acetamide
CID 119803366
5-amino-2-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]benzamide;hydrochloride
CID 120636021
N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide
CID 119803364
N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]piperidine-4-carboxamide;hydrochloride
CID 119334859
N-[1-(2-methylpyrazol-3-yl)ethyl]oxan-4-amine
CID 106757083

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[(1R)-1-(2-methylpyrazol-3-yl)ethyl]amino]-1-(2-phenoxyethyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-[[(1R)-1-(2-methylpyrazol-3-yl)ethyl]amino]-1-(2-phenoxyethyl)pyrrolidin-2-one (CID 124625420) is (4R)-4-[[(1R)-1-(2-methylpyrazol-3-yl)ethyl]amino]-1-(2-phenoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[[(1R)-1-(2-methylpyrazol-3-yl)ethyl]amino]-1-(2-phenoxyethyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[[(1R)-1-(2-methylpyrazol-3-yl)ethyl]amino]-1-(2-phenoxyethyl)pyrrolidin-2-one is C[C@@H](N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccnn1C.
What is the InChIKey of (4R)-4-[[(1R)-1-(2-methylpyrazol-3-yl)ethyl]amino]-1-(2-phenoxyethyl)pyrrolidin-2-one?
The InChIKey is PSHITCUIMICIMJ-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14(17-8-9-19-21(17)2)20-15-12-18(23)22(13-15)10-11-24-16-6-4-3-5-7-16/h3-9,14-15,20H,10-13H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of (4R)-4-[[(1R)-1-(2-methylpyrazol-3-yl)ethyl]amino]-1-(2-phenoxyethyl)pyrrolidin-2-one?
(4R)-4-[[(1R)-1-(2-methylpyrazol-3-yl)ethyl]amino]-1-(2-phenoxyethyl)pyrrolidin-2-one has a molecular weight of 328.42 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[(1R)-1-(2-methylpyrazol-3-yl)ethyl]amino]-1-(2-phenoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 124625420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).