4-amino-1-tert-butyl-5-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidin-2-one

C14H24N4O — CID 112671274

IUPAC4-amino-1-tert-butyl-5-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidin-2-one
SMILESCCc1nn(C)cc1C1C(N)CC(=O)N1C(C)(C)C
InChIInChI=1S/C14H24N4O/c1-6-11-9(8-17(5)16-11)13-10(15)7-12(19)18(13)14(2,3)4/h8,10,13H,6-7,15H2,1-5H3
InChIKeyFJXCDFACKMBVGM-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.38
Rot. Bonds2

About 4-amino-1-tert-butyl-5-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidin-2-one

4-amino-1-tert-butyl-5-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidin-2-one (PubChem CID 112671274) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-amino-1-tert-butyl-5-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-tert-butyl-5-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidin-2-one
PubChem CID112671274
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-amino-1-tert-butyl-5-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidin-2-one
SMILESCCc1nn(C)cc1C1C(N)CC(=O)N1C(C)(C)C
InChIInChI=1S/C14H24N4O/c1-6-11-9(8-17(5)16-11)13-10(15)7-12(19)18(13)14(2,3)4/h8,10,13H,6-7,15H2,1-5H3
InChIKeyFJXCDFACKMBVGM-UHFFFAOYSA-N
XLogP1.38
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpyrrolidin-3-amine
CID 112671279
(4R,5S)-4-amino-5-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolidin-2-one
CID 178191748
1-tert-butyl-2-(1,3-dimethylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 83094867
4-amino-5-(1,3-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-2-one
CID 83094235
4-amino-1-cyclopropyl-5-(1,3-dimethylpyrazol-4-yl)pyrrolidin-2-one
CID 83094417
1-cyclopropyl-2-(3-ethyl-1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid
CID 115990908
4-amino-1-tert-butyl-5-(2-methylpyrimidin-4-yl)pyrrolidin-2-one
CID 113329240
1-(3-ethyl-1-methylpyrazol-4-yl)piperidin-4-amine
CID 107463343
4-[2-(chloromethyl)cyclopropyl]-3-ethyl-1-methylpyrazole
CID 112671681
5-(3-ethyl-1-methylpyrazol-4-yl)-2-sulfanylideneimidazolidin-4-one
CID 112671694
1-(3-ethyl-1-methylpyrazol-4-yl)piperidin-4-one
CID 107463326
[1-(aminomethyl)-2-(3-ethyl-1-methylpyrazol-4-yl)cyclopropyl]methanol
CID 112671144

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-tert-butyl-5-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-tert-butyl-5-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidin-2-one (CID 112671274) is 4-amino-1-tert-butyl-5-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-tert-butyl-5-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-tert-butyl-5-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidin-2-one is CCc1nn(C)cc1C1C(N)CC(=O)N1C(C)(C)C.
What is the InChIKey of 4-amino-1-tert-butyl-5-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is FJXCDFACKMBVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-6-11-9(8-17(5)16-11)13-10(15)7-12(19)18(13)14(2,3)4/h8,10,13H,6-7,15H2,1-5H3.
What are the key properties of 4-amino-1-tert-butyl-5-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidin-2-one?
4-amino-1-tert-butyl-5-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 264.37 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-tert-butyl-5-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 112671274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).