5-[3-bromo-2-(2-bromophenyl)propyl]-4-chloro-3-ethyl-1-methylpyrazole

C15H17Br2ClN2 — CID 79455108

IUPAC5-[3-bromo-2-(2-bromophenyl)propyl]-4-chloro-3-ethyl-1-methylpyrazole
SMILESCCc1nn(C)c(CC(CBr)c2ccccc2Br)c1Cl
InChIInChI=1S/C15H17Br2ClN2/c1-3-13-15(18)14(20(2)19-13)8-10(9-16)11-6-4-5-7-12(11)17/h4-7,10H,3,8-9H2,1-2H3
InChIKeyQMUDUAHDHZJYPZ-UHFFFAOYSA-N
MW420.58 g/mol
LogP5.12
Rot. Bonds5

About 5-[3-bromo-2-(2-bromophenyl)propyl]-4-chloro-3-ethyl-1-methylpyrazole

5-[3-bromo-2-(2-bromophenyl)propyl]-4-chloro-3-ethyl-1-methylpyrazole (PubChem CID 79455108) has the molecular formula C15H17Br2ClN2 and a molecular weight of 420.58 g/mol. Its IUPAC name is 5-[3-bromo-2-(2-bromophenyl)propyl]-4-chloro-3-ethyl-1-methylpyrazole.

Molecular Properties

Compound Name5-[3-bromo-2-(2-bromophenyl)propyl]-4-chloro-3-ethyl-1-methylpyrazole
PubChem CID79455108
Molecular FormulaC15H17Br2ClN2
Molecular Weight420.58 g/mol
Exact Mass417.94
IUPAC Name5-[3-bromo-2-(2-bromophenyl)propyl]-4-chloro-3-ethyl-1-methylpyrazole
SMILESCCc1nn(C)c(CC(CBr)c2ccccc2Br)c1Cl
InChIInChI=1S/C15H17Br2ClN2/c1-3-13-15(18)14(20(2)19-13)8-10(9-16)11-6-4-5-7-12(11)17/h4-7,10H,3,8-9H2,1-2H3
InChIKeyQMUDUAHDHZJYPZ-UHFFFAOYSA-N
XLogP5.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.58
LogP ≤ 55.12
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-(4-chloro-1,3-diethylpyrazol-5-yl)propan-1-ol
CID 79437383
4-bromo-5-[3-bromo-2-(2-fluorophenyl)propyl]-3-ethyl-1-methylpyrazole
CID 79455153
5-[3-bromo-2-(2-methylphenyl)propyl]-4-chloro-1,3-dimethylpyrazole
CID 79418198
5-(3-bromo-2-phenylpropyl)-4-chloro-1,3-diethylpyrazole
CID 66041659
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine
CID 104998590
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(2-iodophenyl)ethanamine
CID 104998497
5-[2-(bromomethyl)-4-methylpentyl]-4-chloro-3-ethyl-1-methylpyrazole
CID 66047663
1-bromo-2-[1-bromo-3-(2-chlorophenyl)propan-2-yl]benzene
CID 79454570
[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-chloro-3-fluorophenyl)ethyl]hydrazine
CID 105316835
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107946154
5-[3-bromo-2-(2-bromophenyl)propyl]-1,3-diethylpyrazole
CID 79455109
1-(3-bromofuran-2-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 106886384

Frequently Asked Questions

What is the IUPAC name of 5-[3-bromo-2-(2-bromophenyl)propyl]-4-chloro-3-ethyl-1-methylpyrazole?
The IUPAC name of 5-[3-bromo-2-(2-bromophenyl)propyl]-4-chloro-3-ethyl-1-methylpyrazole (CID 79455108) is 5-[3-bromo-2-(2-bromophenyl)propyl]-4-chloro-3-ethyl-1-methylpyrazole.
What is the SMILES notation for 5-[3-bromo-2-(2-bromophenyl)propyl]-4-chloro-3-ethyl-1-methylpyrazole?
The canonical SMILES for 5-[3-bromo-2-(2-bromophenyl)propyl]-4-chloro-3-ethyl-1-methylpyrazole is CCc1nn(C)c(CC(CBr)c2ccccc2Br)c1Cl.
What is the InChIKey of 5-[3-bromo-2-(2-bromophenyl)propyl]-4-chloro-3-ethyl-1-methylpyrazole?
The InChIKey is QMUDUAHDHZJYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Br2ClN2/c1-3-13-15(18)14(20(2)19-13)8-10(9-16)11-6-4-5-7-12(11)17/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of 5-[3-bromo-2-(2-bromophenyl)propyl]-4-chloro-3-ethyl-1-methylpyrazole?
5-[3-bromo-2-(2-bromophenyl)propyl]-4-chloro-3-ethyl-1-methylpyrazole has a molecular weight of 420.58 g/mol, XLogP of 5.12, 5 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]-4-chloro-3-ethyl-1-methylpyrazole is sourced from PubChem (CID 79455108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).