3-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolidin-2-one

C10H15N3O — CID 104679409

IUPAC3-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolidin-2-one
SMILESCc1cc(CC2CCNC2=O)n(C)n1
InChIInChI=1S/C10H15N3O/c1-7-5-9(13(2)12-7)6-8-3-4-11-10(8)14/h5,8H,3-4,6H2,1-2H3,(H,11,14)
InChIKeyJHVKRZYCTRQSET-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.41
Rot. Bonds2

About 3-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolidin-2-one

3-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolidin-2-one (PubChem CID 104679409) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolidin-2-one
PubChem CID104679409
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolidin-2-one
SMILESCc1cc(CC2CCNC2=O)n(C)n1
InChIInChI=1S/C10H15N3O/c1-7-5-9(13(2)12-7)6-8-3-4-11-10(8)14/h5,8H,3-4,6H2,1-2H3,(H,11,14)
InChIKeyJHVKRZYCTRQSET-UHFFFAOYSA-N
XLogP0.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2,5-dimethylpyrazol-3-yl)methyl]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 3-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 3-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolidin-2-one (CID 104679409) is 3-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 3-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 3-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolidin-2-one is Cc1cc(CC2CCNC2=O)n(C)n1.
What is the InChIKey of 3-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolidin-2-one?
The InChIKey is JHVKRZYCTRQSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7-5-9(13(2)12-7)6-8-3-4-11-10(8)14/h5,8H,3-4,6H2,1-2H3,(H,11,14).
What are the key properties of 3-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolidin-2-one?
3-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolidin-2-one has a molecular weight of 193.25 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 104679409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).