4-chloro-1-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one

C10H14ClN3O — CID 168688173

IUPAC4-chloro-1-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
SMILESCc1nn(C)c(C)c1N1CC(Cl)CC1=O
InChIInChI=1S/C10H14ClN3O/c1-6-10(7(2)13(3)12-6)14-5-8(11)4-9(14)15/h8H,4-5H2,1-3H3
InChIKeyVJOYQXWUUKMRSO-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.38
Rot. Bonds1

About 4-chloro-1-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one

4-chloro-1-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one (PubChem CID 168688173) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 4-chloro-1-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
PubChem CID168688173
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name4-chloro-1-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
SMILESCc1nn(C)c(C)c1N1CC(Cl)CC1=O
InChIInChI=1S/C10H14ClN3O/c1-6-10(7(2)13(3)12-6)14-5-8(11)4-9(14)15/h8H,4-5H2,1-3H3
InChIKeyVJOYQXWUUKMRSO-UHFFFAOYSA-N
XLogP1.38
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-chloro-1-(1,3,5-trimethylpyrazol-4-yl)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-chloro-1-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one (CID 168688173) is 4-chloro-1-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one is Cc1nn(C)c(C)c1N1CC(Cl)CC1=O.
What is the InChIKey of 4-chloro-1-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is VJOYQXWUUKMRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-6-10(7(2)13(3)12-6)14-5-8(11)4-9(14)15/h8H,4-5H2,1-3H3.
What are the key properties of 4-chloro-1-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one?
4-chloro-1-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 227.69 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 168688173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).