5-[3-bromo-2-(2-bromophenyl)propyl]-1,3-diethylpyrazole

C16H20Br2N2 — CID 79455109

IUPAC5-[3-bromo-2-(2-bromophenyl)propyl]-1,3-diethylpyrazole
SMILESCCc1cc(CC(CBr)c2ccccc2Br)n(CC)n1
InChIInChI=1S/C16H20Br2N2/c1-3-13-10-14(20(4-2)19-13)9-12(11-17)15-7-5-6-8-16(15)18/h5-8,10,12H,3-4,9,11H2,1-2H3
InChIKeyAQYSSJCORRPYQJ-UHFFFAOYSA-N
MW400.16 g/mol
LogP4.95
Rot. Bonds6

About 5-[3-bromo-2-(2-bromophenyl)propyl]-1,3-diethylpyrazole

5-[3-bromo-2-(2-bromophenyl)propyl]-1,3-diethylpyrazole (PubChem CID 79455109) has the molecular formula C16H20Br2N2 and a molecular weight of 400.16 g/mol. Its IUPAC name is 5-[3-bromo-2-(2-bromophenyl)propyl]-1,3-diethylpyrazole.

Molecular Properties

Compound Name5-[3-bromo-2-(2-bromophenyl)propyl]-1,3-diethylpyrazole
PubChem CID79455109
Molecular FormulaC16H20Br2N2
Molecular Weight400.16 g/mol
Exact Mass398.00
IUPAC Name5-[3-bromo-2-(2-bromophenyl)propyl]-1,3-diethylpyrazole
SMILESCCc1cc(CC(CBr)c2ccccc2Br)n(CC)n1
InChIInChI=1S/C16H20Br2N2/c1-3-13-10-14(20(4-2)19-13)9-12(11-17)15-7-5-6-8-16(15)18/h5-8,10,12H,3-4,9,11H2,1-2H3
InChIKeyAQYSSJCORRPYQJ-UHFFFAOYSA-N
XLogP4.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.16
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromophenyl)-3-(1,3-diethylpyrazol-5-yl)propan-1-ol
CID 79454682
5-[3-bromo-2-(2-methylphenyl)propyl]-1,3-diethylpyrazole
CID 79418365
5-[3-bromo-2-(4-chlorophenyl)propyl]-1,3-diethylpyrazole
CID 79435546
1-(2,4-dibromophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol
CID 107947608
5-[3-bromo-2-(2-bromophenyl)propyl]-4-chloro-3-ethyl-1-methylpyrazole
CID 79455108
1-(2-bromo-4-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
CID 105001613
1-(2-bromophenyl)sulfanyl-3-(1,3-diethylpyrazol-5-yl)propan-2-one
CID 66142679
N-[1-(2-bromofuran-3-yl)-2-(1,3-diethylpyrazol-5-yl)ethyl]propan-1-amine
CID 106858001
5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,3-diethylpyrazole
CID 66050345
4-[3-bromo-2-(2-bromophenyl)propyl]-1-methylpyrazole
CID 79454417
1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethylpyrazole
CID 82699372
2-(2-bromophenyl)-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-1-ol
CID 79437383

Frequently Asked Questions

What is the IUPAC name of 5-[3-bromo-2-(2-bromophenyl)propyl]-1,3-diethylpyrazole?
The IUPAC name of 5-[3-bromo-2-(2-bromophenyl)propyl]-1,3-diethylpyrazole (CID 79455109) is 5-[3-bromo-2-(2-bromophenyl)propyl]-1,3-diethylpyrazole.
What is the SMILES notation for 5-[3-bromo-2-(2-bromophenyl)propyl]-1,3-diethylpyrazole?
The canonical SMILES for 5-[3-bromo-2-(2-bromophenyl)propyl]-1,3-diethylpyrazole is CCc1cc(CC(CBr)c2ccccc2Br)n(CC)n1.
What is the InChIKey of 5-[3-bromo-2-(2-bromophenyl)propyl]-1,3-diethylpyrazole?
The InChIKey is AQYSSJCORRPYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Br2N2/c1-3-13-10-14(20(4-2)19-13)9-12(11-17)15-7-5-6-8-16(15)18/h5-8,10,12H,3-4,9,11H2,1-2H3.
What are the key properties of 5-[3-bromo-2-(2-bromophenyl)propyl]-1,3-diethylpyrazole?
5-[3-bromo-2-(2-bromophenyl)propyl]-1,3-diethylpyrazole has a molecular weight of 400.16 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-bromo-2-(2-bromophenyl)propyl]-1,3-diethylpyrazole is sourced from PubChem (CID 79455109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).