4-(chloromethyl)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one

C14H13ClFN3O — CID 168509279

IUPAC4-(chloromethyl)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1cc(-c2ccc(F)cc2)[nH]n1
InChIInChI=1S/C14H13ClFN3O/c15-7-9-5-14(20)19(8-9)13-6-12(17-18-13)10-1-3-11(16)4-2-10/h1-4,6,9H,5,7-8H2,(H,17,18)
InChIKeyFNGGEXOOKAIJHO-UHFFFAOYSA-N
MW293.73 g/mol
LogP2.81
Rot. Bonds3

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

4-(chloromethyl)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one (PubChem CID 168509279) has the molecular formula C14H13ClFN3O and a molecular weight of 293.73 g/mol. Its IUPAC name is 4-(chloromethyl)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
PubChem CID168509279
Molecular FormulaC14H13ClFN3O
Molecular Weight293.73 g/mol
Exact Mass293.07
IUPAC Name4-(chloromethyl)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1cc(-c2ccc(F)cc2)[nH]n1
InChIInChI=1S/C14H13ClFN3O/c15-7-9-5-14(20)19(8-9)13-6-12(17-18-13)10-1-3-11(16)4-2-10/h1-4,6,9H,5,7-8H2,(H,17,18)
InChIKeyFNGGEXOOKAIJHO-UHFFFAOYSA-N
XLogP2.81
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-1-[5-(4-fluorophenyl)-1H-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

1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663927
1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 168698208
4-(hydroxymethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
CID 168662640
4-(aminomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
CID 168659810
4-(chloromethyl)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 168509574
4-chloro-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
CID 168688095
4-(azidomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
CID 168656711
4-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-2-one
CID 168508594
1-(2-bromo-4-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509018
1-(2-amino-3,5-difluorophenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509375
4-(chloromethyl)-1-(5-fluoro-2-methoxyphenyl)pyrrolidin-2-one
CID 168507511
4-(chloromethyl)-1-pyrimidin-4-ylpyrrolidin-2-one
CID 168509710

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one?
The IUPAC name of 4-(chloromethyl)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one (CID 168509279) is 4-(chloromethyl)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(chloromethyl)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(chloromethyl)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one is O=C1CC(CCl)CN1c1cc(-c2ccc(F)cc2)[nH]n1.
What is the InChIKey of 4-(chloromethyl)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one?
The InChIKey is FNGGEXOOKAIJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O/c15-7-9-5-14(20)19(8-9)13-6-12(17-18-13)10-1-3-11(16)4-2-10/h1-4,6,9H,5,7-8H2,(H,17,18).
What are the key properties of 4-(chloromethyl)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one?
4-(chloromethyl)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one has a molecular weight of 293.73 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 168509279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).