1-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-hydroxypyrrolidin-2-one

C14H14BrN3O2 — CID 168703987

IUPAC1-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1ccnn1Cc1ccc(Br)cc1
InChIInChI=1S/C14H14BrN3O2/c15-11-3-1-10(2-4-11)8-18-13(5-6-16-18)17-9-12(19)7-14(17)20/h1-6,12,19H,7-9H2
InChIKeySXIQRIUHJCBQEZ-UHFFFAOYSA-N
MW336.19 g/mol
LogP1.79
Rot. Bonds3

About 1-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-hydroxypyrrolidin-2-one

1-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-hydroxypyrrolidin-2-one (PubChem CID 168703987) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 1-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-hydroxypyrrolidin-2-one
PubChem CID168703987
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name1-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1ccnn1Cc1ccc(Br)cc1
InChIInChI=1S/C14H14BrN3O2/c15-11-3-1-10(2-4-11)8-18-13(5-6-16-18)17-9-12(19)7-14(17)20/h1-6,12,19H,7-9H2
InChIKeySXIQRIUHJCBQEZ-UHFFFAOYSA-N
XLogP1.79
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-hydroxypyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-hydroxypyrrolidin-2-one (CID 168703987) is 1-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-hydroxypyrrolidin-2-one is O=C1CC(O)CN1c1ccnn1Cc1ccc(Br)cc1.
What is the InChIKey of 1-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-hydroxypyrrolidin-2-one?
The InChIKey is SXIQRIUHJCBQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c15-11-3-1-10(2-4-11)8-18-13(5-6-16-18)17-9-12(19)7-14(17)20/h1-6,12,19H,7-9H2.
What are the key properties of 1-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-hydroxypyrrolidin-2-one?
1-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-hydroxypyrrolidin-2-one has a molecular weight of 336.19 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168703987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).