methyl 5-bromo-1-(4-fluorophenyl)pyrazole-3-carboxylate

C11H8BrFN2O2 — CID 178088151

IUPACmethyl 5-bromo-1-(4-fluorophenyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1cc(Br)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C11H8BrFN2O2/c1-17-11(16)9-6-10(12)15(14-9)8-4-2-7(13)3-5-8/h2-6H,1H3
InChIKeyAKWMTAMIUJZQNG-UHFFFAOYSA-N
MW299.10 g/mol
LogP2.56
Rot. Bonds2

About methyl 5-bromo-1-(4-fluorophenyl)pyrazole-3-carboxylate

methyl 5-bromo-1-(4-fluorophenyl)pyrazole-3-carboxylate (PubChem CID 178088151) has the molecular formula C11H8BrFN2O2 and a molecular weight of 299.10 g/mol. Its IUPAC name is methyl 5-bromo-1-(4-fluorophenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-1-(4-fluorophenyl)pyrazole-3-carboxylate
PubChem CID178088151
Molecular FormulaC11H8BrFN2O2
Molecular Weight299.10 g/mol
Exact Mass297.98
IUPAC Namemethyl 5-bromo-1-(4-fluorophenyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1cc(Br)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C11H8BrFN2O2/c1-17-11(16)9-6-10(12)15(14-9)8-4-2-7(13)3-5-8/h2-6H,1H3
InChIKeyAKWMTAMIUJZQNG-UHFFFAOYSA-N
XLogP2.56
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.10
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;methyl 5-bromo-1-(4-fluorophenyl)pyrazole-3-carboxylate
CID 178088150
dimethyl 1-(4-fluorophenyl)pyrazole-3,5-dicarboxylate
CID 11140407
methyl 4-[3-bromo-1-(4-fluorophenyl)pyrazol-5-yl]benzoate
CID 54763253
methyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate
CID 14399715
ethyl 5-fluoro-1-(4-fluorophenyl)pyrazole-3-carboxylate
CID 53429376
methyl 1-(4-bromophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate
CID 22014681
methyl 1-(4-chloro-3-fluorophenyl)-5-methylpyrazole-3-carboxylate
CID 79150154
methyl 5-[4-(4-fluorophenyl)-1,4-diazepane-1-carbonyl]-1-phenylpyrazole-3-carboxylate
CID 86887802
methyl 3-[4-(4-bromophenoxy)phenyl]-1-(4-fluorophenyl)pyrazole-5-carboxylate
CID 131954973
methyl 1-(4-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylate
CID 43513891
methyl 1-phenyl-5-[[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]carbamoyl]pyrazole-3-carboxylate
CID 86971030
methyl 5-amino-1-(3-chloro-4-fluorophenyl)pyrazole-3-carboxylate
CID 82305712

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-1-(4-fluorophenyl)pyrazole-3-carboxylate?
The IUPAC name of methyl 5-bromo-1-(4-fluorophenyl)pyrazole-3-carboxylate (CID 178088151) is methyl 5-bromo-1-(4-fluorophenyl)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 5-bromo-1-(4-fluorophenyl)pyrazole-3-carboxylate?
The canonical SMILES for methyl 5-bromo-1-(4-fluorophenyl)pyrazole-3-carboxylate is COC(=O)c1cc(Br)n(-c2ccc(F)cc2)n1.
What is the InChIKey of methyl 5-bromo-1-(4-fluorophenyl)pyrazole-3-carboxylate?
The InChIKey is AKWMTAMIUJZQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O2/c1-17-11(16)9-6-10(12)15(14-9)8-4-2-7(13)3-5-8/h2-6H,1H3.
What are the key properties of methyl 5-bromo-1-(4-fluorophenyl)pyrazole-3-carboxylate?
methyl 5-bromo-1-(4-fluorophenyl)pyrazole-3-carboxylate has a molecular weight of 299.10 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-1-(4-fluorophenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 178088151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).