5-[3-[(4-bromo-1-methylpyrazol-3-yl)methylamino]phenyl]pyrrolidin-2-one

C15H17BrN4O — CID 146104611

IUPAC5-[3-[(4-bromo-1-methylpyrazol-3-yl)methylamino]phenyl]pyrrolidin-2-one
SMILESCn1cc(Br)c(CNc2cccc(C3CCC(=O)N3)c2)n1
InChIInChI=1S/C15H17BrN4O/c1-20-9-12(16)14(19-20)8-17-11-4-2-3-10(7-11)13-5-6-15(21)18-13/h2-4,7,9,13,17H,5-6,8H2,1H3,(H,18,21)
InChIKeyFUVODPJVFKIPSN-UHFFFAOYSA-N
MW349.23 g/mol
LogP2.75
Rot. Bonds4

About 5-[3-[(4-bromo-1-methylpyrazol-3-yl)methylamino]phenyl]pyrrolidin-2-one

5-[3-[(4-bromo-1-methylpyrazol-3-yl)methylamino]phenyl]pyrrolidin-2-one (PubChem CID 146104611) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 5-[3-[(4-bromo-1-methylpyrazol-3-yl)methylamino]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[3-[(4-bromo-1-methylpyrazol-3-yl)methylamino]phenyl]pyrrolidin-2-one
PubChem CID146104611
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name5-[3-[(4-bromo-1-methylpyrazol-3-yl)methylamino]phenyl]pyrrolidin-2-one
SMILESCn1cc(Br)c(CNc2cccc(C3CCC(=O)N3)c2)n1
InChIInChI=1S/C15H17BrN4O/c1-20-9-12(16)14(19-20)8-17-11-4-2-3-10(7-11)13-5-6-15(21)18-13/h2-4,7,9,13,17H,5-6,8H2,1H3,(H,18,21)
InChIKeyFUVODPJVFKIPSN-UHFFFAOYSA-N
XLogP2.75
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(4-bromo-1-methylpyrazol-3-yl)methylamino]phenyl]pyrrolidin-2-one?
The IUPAC name of 5-[3-[(4-bromo-1-methylpyrazol-3-yl)methylamino]phenyl]pyrrolidin-2-one (CID 146104611) is 5-[3-[(4-bromo-1-methylpyrazol-3-yl)methylamino]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[3-[(4-bromo-1-methylpyrazol-3-yl)methylamino]phenyl]pyrrolidin-2-one?
The canonical SMILES for 5-[3-[(4-bromo-1-methylpyrazol-3-yl)methylamino]phenyl]pyrrolidin-2-one is Cn1cc(Br)c(CNc2cccc(C3CCC(=O)N3)c2)n1.
What is the InChIKey of 5-[3-[(4-bromo-1-methylpyrazol-3-yl)methylamino]phenyl]pyrrolidin-2-one?
The InChIKey is FUVODPJVFKIPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c1-20-9-12(16)14(19-20)8-17-11-4-2-3-10(7-11)13-5-6-15(21)18-13/h2-4,7,9,13,17H,5-6,8H2,1H3,(H,18,21).
What are the key properties of 5-[3-[(4-bromo-1-methylpyrazol-3-yl)methylamino]phenyl]pyrrolidin-2-one?
5-[3-[(4-bromo-1-methylpyrazol-3-yl)methylamino]phenyl]pyrrolidin-2-one has a molecular weight of 349.23 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(4-bromo-1-methylpyrazol-3-yl)methylamino]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 146104611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).