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

C15H17Br2ClN2 — CID 79455166

IUPAC4-bromo-5-[3-bromo-2-(2-chlorophenyl)propyl]-1-ethyl-3-methylpyrazole
SMILESCCn1nc(C)c(Br)c1CC(CBr)c1ccccc1Cl
InChIInChI=1S/C15H17Br2ClN2/c1-3-20-14(15(17)10(2)19-20)8-11(9-16)12-6-4-5-7-13(12)18/h4-7,11H,3,8-9H2,1-2H3
InChIKeySQRLTZLODJQGDC-UHFFFAOYSA-N
MW420.58 g/mol
LogP5.35
Rot. Bonds5

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

4-bromo-5-[3-bromo-2-(2-chlorophenyl)propyl]-1-ethyl-3-methylpyrazole (PubChem CID 79455166) has the molecular formula C15H17Br2ClN2 and a molecular weight of 420.58 g/mol. Its IUPAC name is 4-bromo-5-[3-bromo-2-(2-chlorophenyl)propyl]-1-ethyl-3-methylpyrazole.

Molecular Properties

Compound Name4-bromo-5-[3-bromo-2-(2-chlorophenyl)propyl]-1-ethyl-3-methylpyrazole
PubChem CID79455166
Molecular FormulaC15H17Br2ClN2
Molecular Weight420.58 g/mol
Exact Mass417.94
IUPAC Name4-bromo-5-[3-bromo-2-(2-chlorophenyl)propyl]-1-ethyl-3-methylpyrazole
SMILESCCn1nc(C)c(Br)c1CC(CBr)c1ccccc1Cl
InChIInChI=1S/C15H17Br2ClN2/c1-3-20-14(15(17)10(2)19-20)8-11(9-16)12-6-4-5-7-13(12)18/h4-7,11H,3,8-9H2,1-2H3
InChIKeySQRLTZLODJQGDC-UHFFFAOYSA-N
XLogP5.35
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 ≤ 55.35
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

3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79434400
4-bromo-5-[3-bromo-2-(bromomethyl)propyl]-1-ethyl-3-methylpyrazole
CID 79453099
4-bromo-5-[2-(4-bromophenyl)-3-chloropropyl]-1-ethyl-3-methylpyrazole
CID 79435088
3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-(4-chlorophenyl)propan-1-ol
CID 79438552
2-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-hydrazinylethyl]aniline
CID 105223757
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-3-methylphenyl)ethanamine
CID 107985117
[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dichlorophenyl)ethyl]hydrazine
CID 105316685
3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-(3-chlorophenyl)-N-methylpropan-1-amine
CID 79433938
3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-(3-fluorophenyl)propan-1-amine
CID 79440988
5-[3-bromo-2-(2-chlorophenyl)propyl]-1,3-dimethylpyrazole
CID 79454162
5-[3-bromo-2-(3-fluorophenyl)propyl]-4-chloro-1-ethyl-3-methylpyrazole
CID 79432479
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(5-chloro-2-methylphenyl)ethanamine
CID 104998174

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[3-bromo-2-(2-chlorophenyl)propyl]-1-ethyl-3-methylpyrazole?
The IUPAC name of 4-bromo-5-[3-bromo-2-(2-chlorophenyl)propyl]-1-ethyl-3-methylpyrazole (CID 79455166) is 4-bromo-5-[3-bromo-2-(2-chlorophenyl)propyl]-1-ethyl-3-methylpyrazole.
What is the SMILES notation for 4-bromo-5-[3-bromo-2-(2-chlorophenyl)propyl]-1-ethyl-3-methylpyrazole?
The canonical SMILES for 4-bromo-5-[3-bromo-2-(2-chlorophenyl)propyl]-1-ethyl-3-methylpyrazole is CCn1nc(C)c(Br)c1CC(CBr)c1ccccc1Cl.
What is the InChIKey of 4-bromo-5-[3-bromo-2-(2-chlorophenyl)propyl]-1-ethyl-3-methylpyrazole?
The InChIKey is SQRLTZLODJQGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Br2ClN2/c1-3-20-14(15(17)10(2)19-20)8-11(9-16)12-6-4-5-7-13(12)18/h4-7,11H,3,8-9H2,1-2H3.
What are the key properties of 4-bromo-5-[3-bromo-2-(2-chlorophenyl)propyl]-1-ethyl-3-methylpyrazole?
4-bromo-5-[3-bromo-2-(2-chlorophenyl)propyl]-1-ethyl-3-methylpyrazole has a molecular weight of 420.58 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[3-bromo-2-(2-chlorophenyl)propyl]-1-ethyl-3-methylpyrazole is sourced from PubChem (CID 79455166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).