2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]acetamide

C18H26N6O2 — CID 154796001

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]acetamide
SMILESCCN1C(=O)C[C@@H](CNC(=O)Cn2nc(C)cc2C)[C@@H]1c1nccn1C
InChIInChI=1S/C18H26N6O2/c1-5-23-16(26)9-14(17(23)18-19-6-7-22(18)4)10-20-15(25)11-24-13(3)8-12(2)21-24/h6-8,14,17H,5,9-11H2,1-4H3,(H,20,25)/t14-,17+/m0/s1
InChIKeyJOTVIFOVICZVSC-WMLDXEAASA-N
MW358.45 g/mol
LogP0.96
Rot. Bonds6

About 2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]acetamide (PubChem CID 154796001) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]acetamide
PubChem CID154796001
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]acetamide
SMILESCCN1C(=O)C[C@@H](CNC(=O)Cn2nc(C)cc2C)[C@@H]1c1nccn1C
InChIInChI=1S/C18H26N6O2/c1-5-23-16(26)9-14(17(23)18-19-6-7-22(18)4)10-20-15(25)11-24-13(3)8-12(2)21-24/h6-8,14,17H,5,9-11H2,1-4H3,(H,20,25)/t14-,17+/m0/s1
InChIKeyJOTVIFOVICZVSC-WMLDXEAASA-N
XLogP0.96
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]-4-methylpyrimidine-2-carboxamide
CID 154799304
2-(3,5-dimethylpyrazol-1-yl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]acetamide
CID 128986083
(4S,5R)-1-ethyl-4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]-5-(1-methylimidazol-2-yl)pyrrolidin-2-one
CID 154756662
1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 122359916
N-(cyclopropylmethyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 55028096
2,5-dimethyl-N-[[(2R,3S)-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]furan-3-carboxamide
CID 128984667
2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]acetamide
CID 51595414
N-(azetidin-3-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 66185586
2-(3,5-dimethylpyrazol-1-yl)-N-(2-sulfanylethyl)acetamide
CID 19525804
2-(3,5-dimethylpyrazol-1-yl)-N-[2-(methylamino)ethyl]acetamide
CID 62659650
3-(3-but-3-ynyldiazirin-3-yl)-N-[[(2S,3R)-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]propanamide
CID 154773468
(2S,3R)-N-(3-chloro-2-methyl-4-pyridinyl)-4-ethyl-3-(1-methylimidazol-2-yl)-5-oxomorpholine-2-carboxamide
CID 167766651

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]acetamide (CID 154796001) is 2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]acetamide is CCN1C(=O)C[C@@H](CNC(=O)Cn2nc(C)cc2C)[C@@H]1c1nccn1C.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]acetamide?
The InChIKey is JOTVIFOVICZVSC-WMLDXEAASA-N. The full InChI is InChI=1S/C18H26N6O2/c1-5-23-16(26)9-14(17(23)18-19-6-7-22(18)4)10-20-15(25)11-24-13(3)8-12(2)21-24/h6-8,14,17H,5,9-11H2,1-4H3,(H,20,25)/t14-,17+/m0/s1.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]acetamide has a molecular weight of 358.45 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 154796001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).