(3R)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione

C18H21N3O3 — CID 950681

IUPAC(3R)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)C[C@H](Cn3nc(C)cc3C)C2=O)cc1
InChIInChI=1S/C18H21N3O3/c1-4-24-16-7-5-15(6-8-16)21-17(22)10-14(18(21)23)11-20-13(3)9-12(2)19-20/h5-9,14H,4,10-11H2,1-3H3/t14-/m1/s1
InChIKeyCULQIWSZLRMHFG-CQSZACIVSA-N
MW327.38 g/mol
LogP2.48
Rot. Bonds5

About (3R)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione

(3R)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 950681) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (3R)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
PubChem CID950681
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(3R)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)C[C@H](Cn3nc(C)cc3C)C2=O)cc1
InChIInChI=1S/C18H21N3O3/c1-4-24-16-7-5-15(6-8-16)21-17(22)10-14(18(21)23)11-20-13(3)9-12(2)19-20/h5-9,14H,4,10-11H2,1-3H3/t14-/m1/s1
InChIKeyCULQIWSZLRMHFG-CQSZACIVSA-N
XLogP2.48
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 3514433
(3S)-1-(3-chloro-4-fluorophenyl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-2,5-dione
CID 6546833
1-(4-ethoxyphenyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 2865163
[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7198359
(3S)-1-(4-ethoxyphenyl)-3-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 790044
3-(azepan-1-yl)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 3139879
3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 2896881
(3R)-1-(4-ethoxyphenyl)-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione
CID 7448649
(3R)-3-(azepan-1-ium-1-yl)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 7448646
(3S)-1-(4-ethoxyphenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidine-2,5-dione
CID 711082
2-[(3S)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile
CID 1070828
3-(butan-2-ylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 71669987

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione (CID 950681) is (3R)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione is CCOc1ccc(N2C(=O)C[C@H](Cn3nc(C)cc3C)C2=O)cc1.
What is the InChIKey of (3R)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is CULQIWSZLRMHFG-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-4-24-16-7-5-15(6-8-16)21-17(22)10-14(18(21)23)11-20-13(3)9-12(2)19-20/h5-9,14H,4,10-11H2,1-3H3/t14-/m1/s1.
What are the key properties of (3R)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione?
(3R)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 327.38 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 950681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).