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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Related Compounds

N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-ethylcyclopropan-1-amine
CID 107302738
4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]pyrrolidin-2-one
CID 106189404
4-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one
CID 106189037
4-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]pyrrolidin-2-one
CID 106189405
4-[(3,5-dimethylphenyl)methylamino]pyrrolidin-2-one
CID 106183258
4-[(1-pentan-3-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one
CID 106189038
4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pyrrolidin-2-one
CID 114154959
2-[[3-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122041573
4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 104665443
(4R)-4-(2-methylpropylamino)pyrrolidin-2-one
CID 139457725
4-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962374
N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-1-amine
CID 83015012

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).