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

C15H17Br2FN2 — CID 79455153

IUPAC4-bromo-5-[3-bromo-2-(2-fluorophenyl)propyl]-3-ethyl-1-methylpyrazole
SMILESCCc1nn(C)c(CC(CBr)c2ccccc2F)c1Br
InChIInChI=1S/C15H17Br2FN2/c1-3-13-15(17)14(20(2)19-13)8-10(9-16)11-6-4-5-7-12(11)18/h4-7,10H,3,8-9H2,1-2H3
InChIKeyGTDGRKWZEIKBQT-UHFFFAOYSA-N
MW404.12 g/mol
LogP4.61
Rot. Bonds5

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

4-bromo-5-[3-bromo-2-(2-fluorophenyl)propyl]-3-ethyl-1-methylpyrazole (PubChem CID 79455153) has the molecular formula C15H17Br2FN2 and a molecular weight of 404.12 g/mol. Its IUPAC name is 4-bromo-5-[3-bromo-2-(2-fluorophenyl)propyl]-3-ethyl-1-methylpyrazole.

Molecular Properties

Compound Name4-bromo-5-[3-bromo-2-(2-fluorophenyl)propyl]-3-ethyl-1-methylpyrazole
PubChem CID79455153
Molecular FormulaC15H17Br2FN2
Molecular Weight404.12 g/mol
Exact Mass401.97
IUPAC Name4-bromo-5-[3-bromo-2-(2-fluorophenyl)propyl]-3-ethyl-1-methylpyrazole
SMILESCCc1nn(C)c(CC(CBr)c2ccccc2F)c1Br
InChIInChI=1S/C15H17Br2FN2/c1-3-13-15(17)14(20(2)19-13)8-10(9-16)11-6-4-5-7-12(11)18/h4-7,10H,3,8-9H2,1-2H3
InChIKeyGTDGRKWZEIKBQT-UHFFFAOYSA-N
XLogP4.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.12
LogP ≤ 54.61
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

5-[3-bromo-2-(2-bromophenyl)propyl]-4-chloro-3-ethyl-1-methylpyrazole
CID 79455108
4-bromo-5-(3-bromo-2-methylpropyl)-3-ethyl-1-methylpyrazole
CID 66048082
1-(2-bromo-3,4-difluorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 107538274
3-[3-bromo-2-(2-fluorophenyl)propyl]-1-methylpyrazole
CID 82871989
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-2-(2-fluorophenyl)butan-2-amine
CID 115996374
4-bromo-5-(bromomethyl)-3-ethyl-1-methylpyrazole
CID 81223578
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)ethyl]hydrazine
CID 105314861
1-(1,3-dibromopropan-2-yl)-2-fluorobenzene
CID 79456002
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 104994625
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,3-dichlorophenyl)ethanamine
CID 104994662
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(2-fluorophenyl)-2-methylpropan-2-amine
CID 114833608
2-[3-bromo-2-(2-fluorophenyl)propyl]-5-ethylthiophene
CID 79455155

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[3-bromo-2-(2-fluorophenyl)propyl]-3-ethyl-1-methylpyrazole?
The IUPAC name of 4-bromo-5-[3-bromo-2-(2-fluorophenyl)propyl]-3-ethyl-1-methylpyrazole (CID 79455153) is 4-bromo-5-[3-bromo-2-(2-fluorophenyl)propyl]-3-ethyl-1-methylpyrazole.
What is the SMILES notation for 4-bromo-5-[3-bromo-2-(2-fluorophenyl)propyl]-3-ethyl-1-methylpyrazole?
The canonical SMILES for 4-bromo-5-[3-bromo-2-(2-fluorophenyl)propyl]-3-ethyl-1-methylpyrazole is CCc1nn(C)c(CC(CBr)c2ccccc2F)c1Br.
What is the InChIKey of 4-bromo-5-[3-bromo-2-(2-fluorophenyl)propyl]-3-ethyl-1-methylpyrazole?
The InChIKey is GTDGRKWZEIKBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Br2FN2/c1-3-13-15(17)14(20(2)19-13)8-10(9-16)11-6-4-5-7-12(11)18/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of 4-bromo-5-[3-bromo-2-(2-fluorophenyl)propyl]-3-ethyl-1-methylpyrazole?
4-bromo-5-[3-bromo-2-(2-fluorophenyl)propyl]-3-ethyl-1-methylpyrazole has a molecular weight of 404.12 g/mol, XLogP of 4.61, 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-fluorophenyl)propyl]-3-ethyl-1-methylpyrazole is sourced from PubChem (CID 79455153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).