4-(chloromethyl)-1-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]pyrrolidin-2-one

C16H18ClN3O — CID 168507800

IUPAC4-(chloromethyl)-1-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]pyrrolidin-2-one
SMILESCc1ccc(-n2nc(C)cc2N2CC(CCl)CC2=O)cc1
InChIInChI=1S/C16H18ClN3O/c1-11-3-5-14(6-4-11)20-15(7-12(2)18-20)19-10-13(9-17)8-16(19)21/h3-7,13H,8-10H2,1-2H3
InChIKeyCGXAACILNFJESD-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.08
Rot. Bonds3

About 4-(chloromethyl)-1-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]pyrrolidin-2-one

4-(chloromethyl)-1-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]pyrrolidin-2-one (PubChem CID 168507800) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 4-(chloromethyl)-1-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-1-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]pyrrolidin-2-one
PubChem CID168507800
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name4-(chloromethyl)-1-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]pyrrolidin-2-one
SMILESCc1ccc(-n2nc(C)cc2N2CC(CCl)CC2=O)cc1
InChIInChI=1S/C16H18ClN3O/c1-11-3-5-14(6-4-11)20-15(7-12(2)18-20)19-10-13(9-17)8-16(19)21/h3-7,13H,8-10H2,1-2H3
InChIKeyCGXAACILNFJESD-UHFFFAOYSA-N
XLogP3.08
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-1-[5-methyl-2-(4-methylphenyl)pyrazol-3-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

Related Compounds

4-(hydroxymethyl)-1-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidin-2-one
CID 168662663
4-amino-1-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidin-2-one
CID 168699785
4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one
CID 168508820
4-(chloromethyl)-1-(2-chloro-6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168507873
4-(chloromethyl)-1-(4-fluoro-3-methylphenyl)pyrrolidin-2-one
CID 168507722
4-(chloromethyl)-1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 168507753
4-(chloromethyl)-1-(2-iodo-5-methylphenyl)pyrrolidin-2-one
CID 168507760
4-(chloromethyl)-1-(4-methoxy-3-methylphenyl)pyrrolidin-2-one
CID 168507729
4-(chloromethyl)-1-(3-methyl-2H-indazol-6-yl)pyrrolidin-2-one
CID 168508054
4-(chloromethyl)-1-(3,4-dibromophenyl)pyrrolidin-2-one
CID 168508786
N-[4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-2-methylphenyl]acetamide
CID 168507030
1-(1,3-benzothiazol-5-yl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508876

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]pyrrolidin-2-one?
The IUPAC name of 4-(chloromethyl)-1-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]pyrrolidin-2-one (CID 168507800) is 4-(chloromethyl)-1-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(chloromethyl)-1-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(chloromethyl)-1-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]pyrrolidin-2-one is Cc1ccc(-n2nc(C)cc2N2CC(CCl)CC2=O)cc1.
What is the InChIKey of 4-(chloromethyl)-1-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]pyrrolidin-2-one?
The InChIKey is CGXAACILNFJESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-11-3-5-14(6-4-11)20-15(7-12(2)18-20)19-10-13(9-17)8-16(19)21/h3-7,13H,8-10H2,1-2H3.
What are the key properties of 4-(chloromethyl)-1-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]pyrrolidin-2-one?
4-(chloromethyl)-1-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]pyrrolidin-2-one has a molecular weight of 303.79 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 168507800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).