2-(2-bromophenyl)-1-(2-propan-2-ylpyrazol-3-yl)ethanone

C14H15BrN2O — CID 114197530

IUPAC2-(2-bromophenyl)-1-(2-propan-2-ylpyrazol-3-yl)ethanone
SMILESCC(C)n1nccc1C(=O)Cc1ccccc1Br
InChIInChI=1S/C14H15BrN2O/c1-10(2)17-13(7-8-16-17)14(18)9-11-5-3-4-6-12(11)15/h3-8,10H,9H2,1-2H3
InChIKeyDLBTXVNTPOBBMW-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.65
Rot. Bonds4

About 2-(2-bromophenyl)-1-(2-propan-2-ylpyrazol-3-yl)ethanone

2-(2-bromophenyl)-1-(2-propan-2-ylpyrazol-3-yl)ethanone (PubChem CID 114197530) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(2-propan-2-ylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(2-propan-2-ylpyrazol-3-yl)ethanone
PubChem CID114197530
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name2-(2-bromophenyl)-1-(2-propan-2-ylpyrazol-3-yl)ethanone
SMILESCC(C)n1nccc1C(=O)Cc1ccccc1Br
InChIInChI=1S/C14H15BrN2O/c1-10(2)17-13(7-8-16-17)14(18)9-11-5-3-4-6-12(11)15/h3-8,10H,9H2,1-2H3
InChIKeyDLBTXVNTPOBBMW-UHFFFAOYSA-N
XLogP3.65
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromophenyl)-1-(2-propan-2-ylpyrazol-3-yl)ethanone 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 2-(2-bromophenyl)-1-(2-propan-2-ylpyrazol-3-yl)ethanone?
The IUPAC name of 2-(2-bromophenyl)-1-(2-propan-2-ylpyrazol-3-yl)ethanone (CID 114197530) is 2-(2-bromophenyl)-1-(2-propan-2-ylpyrazol-3-yl)ethanone.
What is the SMILES notation for 2-(2-bromophenyl)-1-(2-propan-2-ylpyrazol-3-yl)ethanone?
The canonical SMILES for 2-(2-bromophenyl)-1-(2-propan-2-ylpyrazol-3-yl)ethanone is CC(C)n1nccc1C(=O)Cc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-1-(2-propan-2-ylpyrazol-3-yl)ethanone?
The InChIKey is DLBTXVNTPOBBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-10(2)17-13(7-8-16-17)14(18)9-11-5-3-4-6-12(11)15/h3-8,10H,9H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-1-(2-propan-2-ylpyrazol-3-yl)ethanone?
2-(2-bromophenyl)-1-(2-propan-2-ylpyrazol-3-yl)ethanone has a molecular weight of 307.19 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(2-propan-2-ylpyrazol-3-yl)ethanone is sourced from PubChem (CID 114197530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).