4-(bromomethyl)-1-(5-propyl-1H-pyrazol-3-yl)pyrrolidin-2-one

C11H16BrN3O — CID 168503789

IUPAC4-(bromomethyl)-1-(5-propyl-1H-pyrazol-3-yl)pyrrolidin-2-one
SMILESCCCc1cc(N2CC(CBr)CC2=O)n[nH]1
InChIInChI=1S/C11H16BrN3O/c1-2-3-9-5-10(14-13-9)15-7-8(6-12)4-11(15)16/h5,8H,2-4,6-7H2,1H3,(H,13,14)
InChIKeyOZEGQCGEUBYIRT-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.11
Rot. Bonds4

About 4-(bromomethyl)-1-(5-propyl-1H-pyrazol-3-yl)pyrrolidin-2-one

4-(bromomethyl)-1-(5-propyl-1H-pyrazol-3-yl)pyrrolidin-2-one (PubChem CID 168503789) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 4-(bromomethyl)-1-(5-propyl-1H-pyrazol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(bromomethyl)-1-(5-propyl-1H-pyrazol-3-yl)pyrrolidin-2-one
PubChem CID168503789
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name4-(bromomethyl)-1-(5-propyl-1H-pyrazol-3-yl)pyrrolidin-2-one
SMILESCCCc1cc(N2CC(CBr)CC2=O)n[nH]1
InChIInChI=1S/C11H16BrN3O/c1-2-3-9-5-10(14-13-9)15-7-8(6-12)4-11(15)16/h5,8H,2-4,6-7H2,1H3,(H,13,14)
InChIKeyOZEGQCGEUBYIRT-UHFFFAOYSA-N
XLogP2.11
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-propyl-1H-pyrazol-3-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669786
4-(bromomethyl)-1-(5-methyl-1H-pyrazol-3-yl)pyrrolidin-2-one
CID 168504725
4-(bromomethyl)-1-(3,4,5-trifluorophenyl)pyrrolidin-2-one
CID 168505640
1-(2H-benzotriazol-5-yl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505547
4-(bromomethyl)-1-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)pyrrolidin-2-one
CID 168504311
1-(5-bromo-4,6-dimethyl-2-pyridinyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168504642
4-(bromomethyl)-1-(3,5-dichloro-4-fluorophenyl)pyrrolidin-2-one
CID 168505634
4-(bromomethyl)-1-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-2-one
CID 168503921
4-(bromomethyl)-1-(6-chloropyrimidin-4-yl)pyrrolidin-2-one
CID 168506043
4-(bromomethyl)-1-(5-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168504458
1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663927
4-(aminomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
CID 168659810

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-(5-propyl-1H-pyrazol-3-yl)pyrrolidin-2-one?
The IUPAC name of 4-(bromomethyl)-1-(5-propyl-1H-pyrazol-3-yl)pyrrolidin-2-one (CID 168503789) is 4-(bromomethyl)-1-(5-propyl-1H-pyrazol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(bromomethyl)-1-(5-propyl-1H-pyrazol-3-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(bromomethyl)-1-(5-propyl-1H-pyrazol-3-yl)pyrrolidin-2-one is CCCc1cc(N2CC(CBr)CC2=O)n[nH]1.
What is the InChIKey of 4-(bromomethyl)-1-(5-propyl-1H-pyrazol-3-yl)pyrrolidin-2-one?
The InChIKey is OZEGQCGEUBYIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-2-3-9-5-10(14-13-9)15-7-8(6-12)4-11(15)16/h5,8H,2-4,6-7H2,1H3,(H,13,14).
What are the key properties of 4-(bromomethyl)-1-(5-propyl-1H-pyrazol-3-yl)pyrrolidin-2-one?
4-(bromomethyl)-1-(5-propyl-1H-pyrazol-3-yl)pyrrolidin-2-one has a molecular weight of 286.17 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-(5-propyl-1H-pyrazol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 168503789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).