2-[1-(2-bromophenyl)-5-ethylpyrazol-3-yl]oxyacetic acid

C13H13BrN2O3 — CID 84606276

IUPAC2-[1-(2-bromophenyl)-5-ethylpyrazol-3-yl]oxyacetic acid
SMILESCCc1cc(OCC(=O)O)nn1-c1ccccc1Br
InChIInChI=1S/C13H13BrN2O3/c1-2-9-7-12(19-8-13(17)18)15-16(9)11-6-4-3-5-10(11)14/h3-7H,2,8H2,1H3,(H,17,18)
InChIKeyMMYGUUFVMBILHV-UHFFFAOYSA-N
MW325.16 g/mol
LogP2.66
Rot. Bonds5

About 2-[1-(2-bromophenyl)-5-ethylpyrazol-3-yl]oxyacetic acid

2-[1-(2-bromophenyl)-5-ethylpyrazol-3-yl]oxyacetic acid (PubChem CID 84606276) has the molecular formula C13H13BrN2O3 and a molecular weight of 325.16 g/mol. Its IUPAC name is 2-[1-(2-bromophenyl)-5-ethylpyrazol-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(2-bromophenyl)-5-ethylpyrazol-3-yl]oxyacetic acid
PubChem CID84606276
Molecular FormulaC13H13BrN2O3
Molecular Weight325.16 g/mol
Exact Mass324.01
IUPAC Name2-[1-(2-bromophenyl)-5-ethylpyrazol-3-yl]oxyacetic acid
SMILESCCc1cc(OCC(=O)O)nn1-c1ccccc1Br
InChIInChI=1S/C13H13BrN2O3/c1-2-9-7-12(19-8-13(17)18)15-16(9)11-6-4-3-5-10(11)14/h3-7H,2,8H2,1H3,(H,17,18)
InChIKeyMMYGUUFVMBILHV-UHFFFAOYSA-N
XLogP2.66
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.16
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-bromophenyl)-5-ethylpyrazol-3-yl]oxyacetic acid
CID 84606275
2-[2-(2-bromophenyl)-5-methylpyrazol-3-yl]sulfanylacetic acid
CID 62408754
2-[2-(2-bromophenyl)pyrazol-3-yl]acetic acid
CID 83904762
1-(2-bromophenyl)-N-ethyl-5-methylpyrazole-3-carboxamide
CID 165489148
1-(2-bromophenyl)-3-ethylpyrazol-5-amine
CID 82091920
2-[1-(2-bromophenyl)-3-cyclopropylpyrazol-5-yl]sulfanylacetic acid
CID 63354489
2-(4-bromo-3-ethylphenoxy)acetic acid
CID 14207512
1-(2-ethylphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid
CID 82362041
4-bromo-1-(2-bromophenyl)-5-tert-butylpyrazole-3-carboxylic acid
CID 62875133
3-(2-bromophenyl)-2-ethylbenzimidazole-5-carboxylic acid
CID 82769763
2-bromo-N-[1-(4-chlorophenyl)-5-ethylpyrazol-3-yl]benzamide
CID 46106953
2-bromo-6-(3,5-diethylpyrazol-1-yl)benzenecarbothioamide
CID 114882799

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bromophenyl)-5-ethylpyrazol-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-(2-bromophenyl)-5-ethylpyrazol-3-yl]oxyacetic acid (CID 84606276) is 2-[1-(2-bromophenyl)-5-ethylpyrazol-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(2-bromophenyl)-5-ethylpyrazol-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(2-bromophenyl)-5-ethylpyrazol-3-yl]oxyacetic acid is CCc1cc(OCC(=O)O)nn1-c1ccccc1Br.
What is the InChIKey of 2-[1-(2-bromophenyl)-5-ethylpyrazol-3-yl]oxyacetic acid?
The InChIKey is MMYGUUFVMBILHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3/c1-2-9-7-12(19-8-13(17)18)15-16(9)11-6-4-3-5-10(11)14/h3-7H,2,8H2,1H3,(H,17,18).
What are the key properties of 2-[1-(2-bromophenyl)-5-ethylpyrazol-3-yl]oxyacetic acid?
2-[1-(2-bromophenyl)-5-ethylpyrazol-3-yl]oxyacetic acid has a molecular weight of 325.16 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bromophenyl)-5-ethylpyrazol-3-yl]oxyacetic acid is sourced from PubChem (CID 84606276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).