4-(aminomethyl)-5-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-2-one

C13H22N4O2 — CID 122360290

IUPAC4-(aminomethyl)-5-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1C(=O)CC(CN)C1c1cnn(C)c1C
InChIInChI=1S/C13H22N4O2/c1-9-11(8-15-16(9)2)13-10(7-14)6-12(18)17(13)4-5-19-3/h8,10,13H,4-7,14H2,1-3H3
InChIKeyZAXUZJHMOPQEPZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.22
Rot. Bonds5

About 4-(aminomethyl)-5-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-2-one

4-(aminomethyl)-5-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-2-one (PubChem CID 122360290) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-(aminomethyl)-5-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-5-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-2-one
PubChem CID122360290
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-(aminomethyl)-5-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1C(=O)CC(CN)C1c1cnn(C)c1C
InChIInChI=1S/C13H22N4O2/c1-9-11(8-15-16(9)2)13-10(7-14)6-12(18)17(13)4-5-19-3/h8,10,13H,4-7,14H2,1-3H3
InChIKeyZAXUZJHMOPQEPZ-UHFFFAOYSA-N
XLogP0.22
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(aminomethyl)-5-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-5-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-2-one (CID 122360290) is 4-(aminomethyl)-5-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-5-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-5-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-2-one is COCCN1C(=O)CC(CN)C1c1cnn(C)c1C.
What is the InChIKey of 4-(aminomethyl)-5-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-2-one?
The InChIKey is ZAXUZJHMOPQEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9-11(8-15-16(9)2)13-10(7-14)6-12(18)17(13)4-5-19-3/h8,10,13H,4-7,14H2,1-3H3.
What are the key properties of 4-(aminomethyl)-5-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-2-one?
4-(aminomethyl)-5-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-2-one has a molecular weight of 266.34 g/mol, XLogP of 0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 122360290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).