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1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone

C18H30N4O2 — CID 154737500

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
SMILESCCC1CN(C(=O)Cc2c(C)nn(C)c2C)CC1N1CCOCC1
InChIInChI=1S/C18H30N4O2/c1-5-15-11-22(12-17(15)21-6-8-24-9-7-21)18(23)10-16-13(2)19-20(4)14(16)3/h15,17H,5-12H2,1-4H3
InChIKeyOQOOLFLZSSGMLE-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.15
Rot. Bonds4

About 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone

1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone (PubChem CID 154737500) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
PubChem CID154737500
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
SMILESCCC1CN(C(=O)Cc2c(C)nn(C)c2C)CC1N1CCOCC1
InChIInChI=1S/C18H30N4O2/c1-5-15-11-22(12-17(15)21-6-8-24-9-7-21)18(23)10-16-13(2)19-20(4)14(16)3/h15,17H,5-12H2,1-4H3
InChIKeyOQOOLFLZSSGMLE-UHFFFAOYSA-N
XLogP1.15
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone (CID 154737500) is 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone is CCC1CN(C(=O)Cc2c(C)nn(C)c2C)CC1N1CCOCC1.
What is the InChIKey of 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The InChIKey is OQOOLFLZSSGMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-5-15-11-22(12-17(15)21-6-8-24-9-7-21)18(23)10-16-13(2)19-20(4)14(16)3/h15,17H,5-12H2,1-4H3.
What are the key properties of 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone has a molecular weight of 334.46 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone is sourced from PubChem (CID 154737500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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