3-(5-chloro-2-pyrazol-1-ylanilino)-1-methylpyrrolidine-2,5-dione

C14H13ClN4O2 — CID 60932879

IUPAC3-(5-chloro-2-pyrazol-1-ylanilino)-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(Nc2cc(Cl)ccc2-n2cccn2)C1=O
InChIInChI=1S/C14H13ClN4O2/c1-18-13(20)8-11(14(18)21)17-10-7-9(15)3-4-12(10)19-6-2-5-16-19/h2-7,11,17H,8H2,1H3
InChIKeyMKYQSKTXGBFPPL-UHFFFAOYSA-N
MW304.74 g/mol
LogP1.69
Rot. Bonds3

About 3-(5-chloro-2-pyrazol-1-ylanilino)-1-methylpyrrolidine-2,5-dione

3-(5-chloro-2-pyrazol-1-ylanilino)-1-methylpyrrolidine-2,5-dione (PubChem CID 60932879) has the molecular formula C14H13ClN4O2 and a molecular weight of 304.74 g/mol. Its IUPAC name is 3-(5-chloro-2-pyrazol-1-ylanilino)-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(5-chloro-2-pyrazol-1-ylanilino)-1-methylpyrrolidine-2,5-dione
PubChem CID60932879
Molecular FormulaC14H13ClN4O2
Molecular Weight304.74 g/mol
Exact Mass304.07
IUPAC Name3-(5-chloro-2-pyrazol-1-ylanilino)-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(Nc2cc(Cl)ccc2-n2cccn2)C1=O
InChIInChI=1S/C14H13ClN4O2/c1-18-13(20)8-11(14(18)21)17-10-7-9(15)3-4-12(10)19-6-2-5-16-19/h2-7,11,17H,8H2,1H3
InChIKeyMKYQSKTXGBFPPL-UHFFFAOYSA-N
XLogP1.69
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-pyrazol-1-ylanilino)-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(5-chloro-2-pyrazol-1-ylanilino)-1-methylpyrrolidine-2,5-dione (CID 60932879) is 3-(5-chloro-2-pyrazol-1-ylanilino)-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(5-chloro-2-pyrazol-1-ylanilino)-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(5-chloro-2-pyrazol-1-ylanilino)-1-methylpyrrolidine-2,5-dione is CN1C(=O)CC(Nc2cc(Cl)ccc2-n2cccn2)C1=O.
What is the InChIKey of 3-(5-chloro-2-pyrazol-1-ylanilino)-1-methylpyrrolidine-2,5-dione?
The InChIKey is MKYQSKTXGBFPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2/c1-18-13(20)8-11(14(18)21)17-10-7-9(15)3-4-12(10)19-6-2-5-16-19/h2-7,11,17H,8H2,1H3.
What are the key properties of 3-(5-chloro-2-pyrazol-1-ylanilino)-1-methylpyrrolidine-2,5-dione?
3-(5-chloro-2-pyrazol-1-ylanilino)-1-methylpyrrolidine-2,5-dione has a molecular weight of 304.74 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-pyrazol-1-ylanilino)-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 60932879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).