2-[2-(2-bromophenyl)pyrazol-3-yl]acetic acid

C11H9BrN2O2 — CID 83904762

IUPAC2-[2-(2-bromophenyl)pyrazol-3-yl]acetic acid
SMILESO=C(O)Cc1ccnn1-c1ccccc1Br
InChIInChI=1S/C11H9BrN2O2/c12-9-3-1-2-4-10(9)14-8(5-6-13-14)7-11(15)16/h1-6H,7H2,(H,15,16)
InChIKeyRSVUHZPYGYWBCK-UHFFFAOYSA-N
MW281.11 g/mol
LogP2.26
Rot. Bonds3

About 2-[2-(2-bromophenyl)pyrazol-3-yl]acetic acid

2-[2-(2-bromophenyl)pyrazol-3-yl]acetic acid (PubChem CID 83904762) has the molecular formula C11H9BrN2O2 and a molecular weight of 281.11 g/mol. Its IUPAC name is 2-[2-(2-bromophenyl)pyrazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-bromophenyl)pyrazol-3-yl]acetic acid
PubChem CID83904762
Molecular FormulaC11H9BrN2O2
Molecular Weight281.11 g/mol
Exact Mass279.98
IUPAC Name2-[2-(2-bromophenyl)pyrazol-3-yl]acetic acid
SMILESO=C(O)Cc1ccnn1-c1ccccc1Br
InChIInChI=1S/C11H9BrN2O2/c12-9-3-1-2-4-10(9)14-8(5-6-13-14)7-11(15)16/h1-6H,7H2,(H,15,16)
InChIKeyRSVUHZPYGYWBCK-UHFFFAOYSA-N
XLogP2.26
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-bromophenyl)pyrazol-3-yl]ethanamine
CID 83902451
2-[1-(2-bromophenyl)-3,4-dimethyl-6-oxopyrano[3,2-d]pyrazol-5-yl]acetic acid
CID 50888982
[5-bromo-1-(2-bromophenyl)pyrazol-4-yl]methanol
CID 77174643
2-[2-(2-bromophenyl)-5-methylpyrazol-3-yl]sulfanylacetic acid
CID 62408754
2-[2-(2-bromophenyl)-3-oxo-1H-pyrazol-4-yl]acetic acid
CID 115068738
1-(2-bromophenyl)-5-methylpyrazole-4-carboxylic acid
CID 43542795
2-[1-(2-bromophenyl)-5-ethylpyrazol-3-yl]oxyacetic acid
CID 84606276
2-[1-(2-bromophenyl)-3-cyclopropylpyrazol-5-yl]sulfanylacetic acid
CID 63354489
1-(2-bromophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 11142236
1-(2-bromophenyl)-5-phenyl-1,2,4-triazole-3-carboxylic acid
CID 29060309
2-[[4-(2-bromophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 29075691
2-(3-bromo-2-fluorophenyl)acetic acid
CID 26985260

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromophenyl)pyrazol-3-yl]acetic acid?
The IUPAC name of 2-[2-(2-bromophenyl)pyrazol-3-yl]acetic acid (CID 83904762) is 2-[2-(2-bromophenyl)pyrazol-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-bromophenyl)pyrazol-3-yl]acetic acid?
The canonical SMILES for 2-[2-(2-bromophenyl)pyrazol-3-yl]acetic acid is O=C(O)Cc1ccnn1-c1ccccc1Br.
What is the InChIKey of 2-[2-(2-bromophenyl)pyrazol-3-yl]acetic acid?
The InChIKey is RSVUHZPYGYWBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2/c12-9-3-1-2-4-10(9)14-8(5-6-13-14)7-11(15)16/h1-6H,7H2,(H,15,16).
What are the key properties of 2-[2-(2-bromophenyl)pyrazol-3-yl]acetic acid?
2-[2-(2-bromophenyl)pyrazol-3-yl]acetic acid has a molecular weight of 281.11 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromophenyl)pyrazol-3-yl]acetic acid is sourced from PubChem (CID 83904762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).