N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-2-(4-ethylphenoxy)acetamide

C19H24N4O3 — CID 99817535

IUPACN-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)cc1
InChIInChI=1S/C19H24N4O3/c1-4-14-5-7-15(8-6-14)26-12-17(24)20-16-9-10-23(19(16)25)18-11-13(2)21-22(18)3/h5-8,11,16H,4,9-10,12H2,1-3H3,(H,20,24)/t16-/m0/s1
InChIKeyKASJGAITDUWBOK-INIZCTEOSA-N
MW356.43 g/mol
LogP1.59
Rot. Bonds6

About N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-2-(4-ethylphenoxy)acetamide

N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-2-(4-ethylphenoxy)acetamide (PubChem CID 99817535) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-2-(4-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-2-(4-ethylphenoxy)acetamide
PubChem CID99817535
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)cc1
InChIInChI=1S/C19H24N4O3/c1-4-14-5-7-15(8-6-14)26-12-17(24)20-16-9-10-23(19(16)25)18-11-13(2)21-22(18)3/h5-8,11,16H,4,9-10,12H2,1-3H3,(H,20,24)/t16-/m0/s1
InChIKeyKASJGAITDUWBOK-INIZCTEOSA-N
XLogP1.59
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(aminomethyl)phenoxy]-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
CID 106249589
2-[2-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]sulfanylacetic acid
CID 120551878
3-cyclopentyl-N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]propanamide
CID 75512323
2-[2-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid
CID 120551885
1-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-3-(5-fluoro-2-pyridinyl)urea
CID 124570182
1-(5-cyclopropyl-1-ethylpyrazol-3-yl)-3-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]urea
CID 154736968
(3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]pyrrolidin-2-one
CID 99639548
(3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[(4-methoxyphenyl)methyl-methylamino]pyrrolidin-2-one
CID 97318950
2-(4-ethylphenoxy)-N-pyrrolidin-3-ylacetamide
CID 119450074
2-(3,5-dimethylpyrazol-1-yl)-N'-[2-(4-ethylphenoxy)acetyl]acetohydrazide
CID 26594562
N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 97218403
2-(3,5-dichlorophenoxy)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
CID 71994594

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-2-(4-ethylphenoxy)acetamide?
The IUPAC name of N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-2-(4-ethylphenoxy)acetamide (CID 99817535) is N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-2-(4-ethylphenoxy)acetamide.
What is the SMILES notation for N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-2-(4-ethylphenoxy)acetamide?
The canonical SMILES for N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-2-(4-ethylphenoxy)acetamide is CCc1ccc(OCC(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)cc1.
What is the InChIKey of N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-2-(4-ethylphenoxy)acetamide?
The InChIKey is KASJGAITDUWBOK-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-4-14-5-7-15(8-6-14)26-12-17(24)20-16-9-10-23(19(16)25)18-11-13(2)21-22(18)3/h5-8,11,16H,4,9-10,12H2,1-3H3,(H,20,24)/t16-/m0/s1.
What are the key properties of N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-2-(4-ethylphenoxy)acetamide?
N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-2-(4-ethylphenoxy)acetamide has a molecular weight of 356.43 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-2-(4-ethylphenoxy)acetamide is sourced from PubChem (CID 99817535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).