(3S)-1-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione

C15H14ClN3O2 — CID 766648

IUPAC(3S)-1-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione
SMILESCc1cc(C)n([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)n1
InChIInChI=1S/C15H14ClN3O2/c1-9-7-10(2)19(17-9)13-8-14(20)18(15(13)21)12-5-3-11(16)4-6-12/h3-7,13H,8H2,1-2H3/t13-/m0/s1
InChIKeyUURNHXKENLZKKK-ZDUSSCGKSA-N
MW303.75 g/mol
LogP2.66
Rot. Bonds2

About (3S)-1-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione

(3S)-1-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione (PubChem CID 766648) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is (3S)-1-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione
PubChem CID766648
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name(3S)-1-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione
SMILESCc1cc(C)n([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)n1
InChIInChI=1S/C15H14ClN3O2/c1-9-7-10(2)19(17-9)13-8-14(20)18(15(13)21)12-5-3-11(16)4-6-12/h3-7,13H,8H2,1-2H3/t13-/m0/s1
InChIKeyUURNHXKENLZKKK-ZDUSSCGKSA-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

(3S)-1-(3,5-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione
CID 948360
(3S)-1-(3-chloro-4-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione
CID 947887
(3R)-1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1115587
(3S)-1-(3-chloro-4-fluorophenyl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-2,5-dione
CID 6546833
3-(benzimidazol-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione
CID 3130213
(3R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
CID 1353414
(3S)-1-(4-chlorophenyl)-3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
CID 25346833
(3S)-1-(4-chlorophenyl)-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 9357851
(3R)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 950681
1-(4-chlorophenyl)-3-(2-propan-2-ylbenzimidazol-1-yl)pyrrolidine-2,5-dione
CID 2806877
1-(4-chlorophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 2832597
(3R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 1098219

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione (CID 766648) is (3S)-1-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione is Cc1cc(C)n([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)n1.
What is the InChIKey of (3S)-1-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione?
The InChIKey is UURNHXKENLZKKK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-9-7-10(2)19(17-9)13-8-14(20)18(15(13)21)12-5-3-11(16)4-6-12/h3-7,13H,8H2,1-2H3/t13-/m0/s1.
What are the key properties of (3S)-1-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione?
(3S)-1-(4-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 (3S)-1-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 766648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).