4-chloro-1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)pyrrolidin-2-one

C10H14ClN3O — CID 168687559

IUPAC4-chloro-1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)pyrrolidin-2-one
SMILESCCc1[nH]nc(N2CC(Cl)CC2=O)c1C
InChIInChI=1S/C10H14ClN3O/c1-3-8-6(2)10(13-12-8)14-5-7(11)4-9(14)15/h7H,3-5H2,1-2H3,(H,12,13)
InChIKeyMHAXUJIIYSSARJ-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.62
Rot. Bonds2

About 4-chloro-1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)pyrrolidin-2-one

4-chloro-1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)pyrrolidin-2-one (PubChem CID 168687559) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 4-chloro-1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)pyrrolidin-2-one
PubChem CID168687559
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name4-chloro-1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)pyrrolidin-2-one
SMILESCCc1[nH]nc(N2CC(Cl)CC2=O)c1C
InChIInChI=1S/C10H14ClN3O/c1-3-8-6(2)10(13-12-8)14-5-7(11)4-9(14)15/h7H,3-5H2,1-2H3,(H,12,13)
InChIKeyMHAXUJIIYSSARJ-UHFFFAOYSA-N
XLogP1.62
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 168696300
4-amino-1-(4,5-dimethyl-1H-pyrazol-3-yl)pyrrolidin-2-one
CID 168699870
1-(4,5-dimethyl-1H-pyrazol-3-yl)-4-hydroxypyrrolidin-2-one
CID 168702622
4-chloro-1-(2-ethylphenyl)pyrrolidin-2-one
CID 168687542
4-chloro-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
CID 168688095
4-chloro-1-(3-hydroxy-6-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168688103
1-(3-amino-4-methyl-2-pyridinyl)-4-chloropyrrolidin-2-one
CID 168688168
4-chloro-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-one
CID 168688388
4-chloro-1-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-2-one
CID 168688096
4-chloro-1-(5-iodo-3-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168688270
1-(3-bromo-4-methyl-2-pyridinyl)-4-chloropyrrolidin-2-one
CID 168688351
4-chloro-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one
CID 168688452

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)pyrrolidin-2-one (CID 168687559) is 4-chloro-1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)pyrrolidin-2-one is CCc1[nH]nc(N2CC(Cl)CC2=O)c1C.
What is the InChIKey of 4-chloro-1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)pyrrolidin-2-one?
The InChIKey is MHAXUJIIYSSARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-3-8-6(2)10(13-12-8)14-5-7(11)4-9(14)15/h7H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 4-chloro-1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)pyrrolidin-2-one?
4-chloro-1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)pyrrolidin-2-one has a molecular weight of 227.69 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 168687559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).