4-[3-bromo-2-(2-bromophenyl)propyl]-1-methylpyrazole

C13H14Br2N2 — CID 79454417

IUPAC4-[3-bromo-2-(2-bromophenyl)propyl]-1-methylpyrazole
SMILESCn1cc(CC(CBr)c2ccccc2Br)cn1
InChIInChI=1S/C13H14Br2N2/c1-17-9-10(8-16-17)6-11(7-14)12-4-2-3-5-13(12)15/h2-5,8-9,11H,6-7H2,1H3
InChIKeySAVZSAZDZOVTSW-UHFFFAOYSA-N
MW358.08 g/mol
LogP3.90
Rot. Bonds4

About 4-[3-bromo-2-(2-bromophenyl)propyl]-1-methylpyrazole

4-[3-bromo-2-(2-bromophenyl)propyl]-1-methylpyrazole (PubChem CID 79454417) has the molecular formula C13H14Br2N2 and a molecular weight of 358.08 g/mol. Its IUPAC name is 4-[3-bromo-2-(2-bromophenyl)propyl]-1-methylpyrazole.

Molecular Properties

Compound Name4-[3-bromo-2-(2-bromophenyl)propyl]-1-methylpyrazole
PubChem CID79454417
Molecular FormulaC13H14Br2N2
Molecular Weight358.08 g/mol
Exact Mass355.95
IUPAC Name4-[3-bromo-2-(2-bromophenyl)propyl]-1-methylpyrazole
SMILESCn1cc(CC(CBr)c2ccccc2Br)cn1
InChIInChI=1S/C13H14Br2N2/c1-17-9-10(8-16-17)6-11(7-14)12-4-2-3-5-13(12)15/h2-5,8-9,11H,6-7H2,1H3
InChIKeySAVZSAZDZOVTSW-UHFFFAOYSA-N
XLogP3.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.08
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[3-bromo-2-(2-bromophenyl)propyl]-1-methylpyrazole with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 62126641
1-(2-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103006091
1-(2-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103009628
4-[4-bromo-3-(2-methylphenyl)butyl]-1-methylpyrazole
CID 103018532
1-bromo-2-[1-bromo-3-(4-propan-2-ylphenyl)propan-2-yl]benzene
CID 79454413
3-(1-methylpyrazol-4-yl)-2-phenylpropan-1-ol
CID 66057746
(2-bromophenyl)-(1-methylpyrazol-4-yl)methanamine
CID 43124230
2-[(2-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)propanoic acid
CID 55040758
1-(2,5-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 115822012
1-(2-iodophenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821792
2-[(2-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine
CID 62516151
2-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 39794973

Frequently Asked Questions

What is the IUPAC name of 4-[3-bromo-2-(2-bromophenyl)propyl]-1-methylpyrazole?
The IUPAC name of 4-[3-bromo-2-(2-bromophenyl)propyl]-1-methylpyrazole (CID 79454417) is 4-[3-bromo-2-(2-bromophenyl)propyl]-1-methylpyrazole.
What is the SMILES notation for 4-[3-bromo-2-(2-bromophenyl)propyl]-1-methylpyrazole?
The canonical SMILES for 4-[3-bromo-2-(2-bromophenyl)propyl]-1-methylpyrazole is Cn1cc(CC(CBr)c2ccccc2Br)cn1.
What is the InChIKey of 4-[3-bromo-2-(2-bromophenyl)propyl]-1-methylpyrazole?
The InChIKey is SAVZSAZDZOVTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N2/c1-17-9-10(8-16-17)6-11(7-14)12-4-2-3-5-13(12)15/h2-5,8-9,11H,6-7H2,1H3.
What are the key properties of 4-[3-bromo-2-(2-bromophenyl)propyl]-1-methylpyrazole?
4-[3-bromo-2-(2-bromophenyl)propyl]-1-methylpyrazole has a molecular weight of 358.08 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-bromo-2-(2-bromophenyl)propyl]-1-methylpyrazole is sourced from PubChem (CID 79454417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).