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

C15H17BrClFN2 — CID 79432479

IUPAC5-[3-bromo-2-(3-fluorophenyl)propyl]-4-chloro-1-ethyl-3-methylpyrazole
SMILESCCn1nc(C)c(Cl)c1CC(CBr)c1cccc(F)c1
InChIInChI=1S/C15H17BrClFN2/c1-3-20-14(15(17)10(2)19-20)8-12(9-16)11-5-4-6-13(18)7-11/h4-7,12H,3,8-9H2,1-2H3
InChIKeyXGDYPWAJNFDBAM-UHFFFAOYSA-N
MW359.67 g/mol
LogP4.73
Rot. Bonds5

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

5-[3-bromo-2-(3-fluorophenyl)propyl]-4-chloro-1-ethyl-3-methylpyrazole (PubChem CID 79432479) has the molecular formula C15H17BrClFN2 and a molecular weight of 359.67 g/mol. Its IUPAC name is 5-[3-bromo-2-(3-fluorophenyl)propyl]-4-chloro-1-ethyl-3-methylpyrazole.

Molecular Properties

Compound Name5-[3-bromo-2-(3-fluorophenyl)propyl]-4-chloro-1-ethyl-3-methylpyrazole
PubChem CID79432479
Molecular FormulaC15H17BrClFN2
Molecular Weight359.67 g/mol
Exact Mass358.02
IUPAC Name5-[3-bromo-2-(3-fluorophenyl)propyl]-4-chloro-1-ethyl-3-methylpyrazole
SMILESCCn1nc(C)c(Cl)c1CC(CBr)c1cccc(F)c1
InChIInChI=1S/C15H17BrClFN2/c1-3-20-14(15(17)10(2)19-20)8-12(9-16)11-5-4-6-13(18)7-11/h4-7,12H,3,8-9H2,1-2H3
InChIKeyXGDYPWAJNFDBAM-UHFFFAOYSA-N
XLogP4.73
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.67
LogP ≤ 54.73
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-chloro-1-ethyl-3-methylpyrazol-5-yl)-2-(3-fluorophenyl)propan-1-ol
CID 79431173
3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-(3-fluorophenyl)propan-1-amine
CID 79440988
3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-(3-fluorophenyl)propan-1-amine
CID 79432932
3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-2-(3-methylphenyl)propan-1-ol
CID 79424330
4-chloro-5-[2-(chloromethyl)-3-(3-fluorophenyl)propyl]-1-ethyl-3-methylpyrazole
CID 66050315
2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-(3-fluorophenyl)propan-1-ol
CID 66059067
5-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]-4-chloro-1-ethyl-3-methylpyrazole
CID 66042322
5-(3-bromo-2-phenylpropyl)-4-chloro-1,3-diethylpyrazole
CID 66041659
5-(3-bromo-2-methyl-3-phenylpropyl)-4-chloro-1-ethyl-3-methylpyrazole
CID 104846532
5-[2-(bromomethyl)-3-(2-bromophenyl)propyl]-4-chloro-1-ethyl-3-methylpyrazole
CID 66040753
1-[3-bromo-2-(3-fluorophenyl)propyl]-2-chloro-4-methylbenzene
CID 106870715
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,6-difluorophenyl)-N-methylethanamine
CID 79516829

Frequently Asked Questions

What is the IUPAC name of 5-[3-bromo-2-(3-fluorophenyl)propyl]-4-chloro-1-ethyl-3-methylpyrazole?
The IUPAC name of 5-[3-bromo-2-(3-fluorophenyl)propyl]-4-chloro-1-ethyl-3-methylpyrazole (CID 79432479) is 5-[3-bromo-2-(3-fluorophenyl)propyl]-4-chloro-1-ethyl-3-methylpyrazole.
What is the SMILES notation for 5-[3-bromo-2-(3-fluorophenyl)propyl]-4-chloro-1-ethyl-3-methylpyrazole?
The canonical SMILES for 5-[3-bromo-2-(3-fluorophenyl)propyl]-4-chloro-1-ethyl-3-methylpyrazole is CCn1nc(C)c(Cl)c1CC(CBr)c1cccc(F)c1.
What is the InChIKey of 5-[3-bromo-2-(3-fluorophenyl)propyl]-4-chloro-1-ethyl-3-methylpyrazole?
The InChIKey is XGDYPWAJNFDBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClFN2/c1-3-20-14(15(17)10(2)19-20)8-12(9-16)11-5-4-6-13(18)7-11/h4-7,12H,3,8-9H2,1-2H3.
What are the key properties of 5-[3-bromo-2-(3-fluorophenyl)propyl]-4-chloro-1-ethyl-3-methylpyrazole?
5-[3-bromo-2-(3-fluorophenyl)propyl]-4-chloro-1-ethyl-3-methylpyrazole has a molecular weight of 359.67 g/mol, XLogP of 4.73, 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-(3-fluorophenyl)propyl]-4-chloro-1-ethyl-3-methylpyrazole is sourced from PubChem (CID 79432479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).