1-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]piperidine-2,6-dione

C15H14BrN3O2 — CID 2810980

IUPAC1-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]piperidine-2,6-dione
SMILESCn1cc(Br)c(-c2cccc(N3C(=O)CCCC3=O)c2)n1
InChIInChI=1S/C15H14BrN3O2/c1-18-9-12(16)15(17-18)10-4-2-5-11(8-10)19-13(20)6-3-7-14(19)21/h2,4-5,8-9H,3,6-7H2,1H3
InChIKeyCCJPBTDSOSCAKM-UHFFFAOYSA-N
MW348.20 g/mol
LogP2.89
Rot. Bonds2

About 1-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]piperidine-2,6-dione

1-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]piperidine-2,6-dione (PubChem CID 2810980) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is 1-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]piperidine-2,6-dione
PubChem CID2810980
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name1-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]piperidine-2,6-dione
SMILESCn1cc(Br)c(-c2cccc(N3C(=O)CCCC3=O)c2)n1
InChIInChI=1S/C15H14BrN3O2/c1-18-9-12(16)15(17-18)10-4-2-5-11(8-10)19-13(20)6-3-7-14(19)21/h2,4-5,8-9H,3,6-7H2,1H3
InChIKeyCCJPBTDSOSCAKM-UHFFFAOYSA-N
XLogP2.89
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
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-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]piperidine-2,6-dione?
The IUPAC name of 1-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]piperidine-2,6-dione (CID 2810980) is 1-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]piperidine-2,6-dione?
The canonical SMILES for 1-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]piperidine-2,6-dione is Cn1cc(Br)c(-c2cccc(N3C(=O)CCCC3=O)c2)n1.
What is the InChIKey of 1-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]piperidine-2,6-dione?
The InChIKey is CCJPBTDSOSCAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c1-18-9-12(16)15(17-18)10-4-2-5-11(8-10)19-13(20)6-3-7-14(19)21/h2,4-5,8-9H,3,6-7H2,1H3.
What are the key properties of 1-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]piperidine-2,6-dione?
1-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]piperidine-2,6-dione has a molecular weight of 348.20 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]piperidine-2,6-dione is sourced from PubChem (CID 2810980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).