1-(3-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione

C15H14ClN3O2 — CID 2841010

IUPAC1-(3-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione
SMILESCc1cc(C)n(C2CC(=O)N(c3cccc(Cl)c3)C2=O)n1
InChIInChI=1S/C15H14ClN3O2/c1-9-6-10(2)19(17-9)13-8-14(20)18(15(13)21)12-5-3-4-11(16)7-12/h3-7,13H,8H2,1-2H3
InChIKeyUHXFPXLQLHYWGL-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.66
Rot. Bonds2

About 1-(3-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione

1-(3-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione (PubChem CID 2841010) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione
PubChem CID2841010
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name1-(3-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione
SMILESCc1cc(C)n(C2CC(=O)N(c3cccc(Cl)c3)C2=O)n1
InChIInChI=1S/C15H14ClN3O2/c1-9-6-10(2)19(17-9)13-8-14(20)18(15(13)21)12-5-3-4-11(16)7-12/h3-7,13H,8H2,1-2H3
InChIKeyUHXFPXLQLHYWGL-UHFFFAOYSA-N
XLogP2.66
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dichlorophenyl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)pyrrolidine-2,5-dione
CID 3367012
3-[(3,5-Dimethylpyrazol-1-yl)methyl]-1-phenylpyrrolidine-2,5-dione
CID 3800305
1-(4-Chlorophenyl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-2,5-dione
CID 4419462
1-(3-chloro-4-methylphenyl)-3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]pyrrolidine-2,5-dione
CID 661348
1-(3,5-dichlorophenyl)-3-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)pyrrolidine-2,5-dione
CID 661367
1-(3-chloro-4-fluorophenyl)-3-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)pyrrolidine-2,5-dione
CID 661506
3-(3,5-Dimethylpyrazolyl)-1-(4-methylphenyl)azolidine-2,5-dione
CID 2964663
1-(3-Chloro-4-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione
CID 3791826
1-(3,5-Dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione
CID 3829291
3-(3,5-Dimethyl-pyrazol-1-yl)-1-phenyl-pyrrolidine-2,5-dione
CID 2835927
1-(3-chlorophenyl)-4-{1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-3-piperidinyl}piperazine
CID 24793104
1-(3,4-dichlorophenyl)-3-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)pyrrolidine-2,5-dione
CID 661488

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(3-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione (CID 2841010) is 1-(3-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione is Cc1cc(C)n(C2CC(=O)N(c3cccc(Cl)c3)C2=O)n1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione?
The InChIKey is UHXFPXLQLHYWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-9-6-10(2)19(17-9)13-8-14(20)18(15(13)21)12-5-3-4-11(16)7-12/h3-7,13H,8H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione?
1-(3-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione has a molecular weight of 303.75 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2841010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).