1-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]pyrrolidine-2,5-dione

C14H11Cl2N3O2 — CID 19585700

IUPAC1-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1nn(Cc2ccccc2Cl)cc1Cl
InChIInChI=1S/C14H11Cl2N3O2/c15-10-4-2-1-3-9(10)7-18-8-11(16)14(17-18)19-12(20)5-6-13(19)21/h1-4,8H,5-7H2
InChIKeyCCHMDUJNTCFJSA-UHFFFAOYSA-N
MW324.17 g/mol
LogP2.89
Rot. Bonds3

About 1-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]pyrrolidine-2,5-dione

1-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]pyrrolidine-2,5-dione (PubChem CID 19585700) has the molecular formula C14H11Cl2N3O2 and a molecular weight of 324.17 g/mol. Its IUPAC name is 1-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]pyrrolidine-2,5-dione
PubChem CID19585700
Molecular FormulaC14H11Cl2N3O2
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name1-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1nn(Cc2ccccc2Cl)cc1Cl
InChIInChI=1S/C14H11Cl2N3O2/c15-10-4-2-1-3-9(10)7-18-8-11(16)14(17-18)19-12(20)5-6-13(19)21/h1-4,8H,5-7H2
InChIKeyCCHMDUJNTCFJSA-UHFFFAOYSA-N
XLogP2.89
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]pyrrolidine-2,5-dione (CID 19585700) is 1-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1c1nn(Cc2ccccc2Cl)cc1Cl.
What is the InChIKey of 1-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]pyrrolidine-2,5-dione?
The InChIKey is CCHMDUJNTCFJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O2/c15-10-4-2-1-3-9(10)7-18-8-11(16)14(17-18)19-12(20)5-6-13(19)21/h1-4,8H,5-7H2.
What are the key properties of 1-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]pyrrolidine-2,5-dione?
1-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]pyrrolidine-2,5-dione has a molecular weight of 324.17 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 19585700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).