4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]pyrrolidin-2-one

C10H15BrN4O — CID 106189229

IUPAC4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]pyrrolidin-2-one
SMILESCc1nn(C)c(CNC2CNC(=O)C2)c1Br
InChIInChI=1S/C10H15BrN4O/c1-6-10(11)8(15(2)14-6)5-12-7-3-9(16)13-4-7/h7,12H,3-5H2,1-2H3,(H,13,16)
InChIKeyMBPYRFSIHORUJK-UHFFFAOYSA-N
MW287.16 g/mol
LogP0.47
Rot. Bonds3

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

4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]pyrrolidin-2-one (PubChem CID 106189229) has the molecular formula C10H15BrN4O and a molecular weight of 287.16 g/mol. Its IUPAC name is 4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]pyrrolidin-2-one
PubChem CID106189229
Molecular FormulaC10H15BrN4O
Molecular Weight287.16 g/mol
Exact Mass286.04
IUPAC Name4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]pyrrolidin-2-one
SMILESCc1nn(C)c(CNC2CNC(=O)C2)c1Br
InChIInChI=1S/C10H15BrN4O/c1-6-10(11)8(15(2)14-6)5-12-7-3-9(16)13-4-7/h7,12H,3-5H2,1-2H3,(H,13,16)
InChIKeyMBPYRFSIHORUJK-UHFFFAOYSA-N
XLogP0.47
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]pyrrolidin-2-one?
The IUPAC name of 4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]pyrrolidin-2-one (CID 106189229) is 4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]pyrrolidin-2-one?
The canonical SMILES for 4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]pyrrolidin-2-one is Cc1nn(C)c(CNC2CNC(=O)C2)c1Br.
What is the InChIKey of 4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]pyrrolidin-2-one?
The InChIKey is MBPYRFSIHORUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O/c1-6-10(11)8(15(2)14-6)5-12-7-3-9(16)13-4-7/h7,12H,3-5H2,1-2H3,(H,13,16).
What are the key properties of 4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]pyrrolidin-2-one?
4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]pyrrolidin-2-one has a molecular weight of 287.16 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 106189229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).