2-ethoxy-6-pyrazol-1-ylbenzoic acid

C12H12N2O3 — CID 150534802

IUPAC2-ethoxy-6-pyrazol-1-ylbenzoic acid
SMILESCCOc1cccc(-n2cccn2)c1C(=O)O
InChIInChI=1S/C12H12N2O3/c1-2-17-10-6-3-5-9(11(10)12(15)16)14-8-4-7-13-14/h3-8H,2H2,1H3,(H,15,16)
InChIKeyIEPNSTATCYJFND-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.97
Rot. Bonds4

About 2-ethoxy-6-pyrazol-1-ylbenzoic acid

2-ethoxy-6-pyrazol-1-ylbenzoic acid (PubChem CID 150534802) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-ethoxy-6-pyrazol-1-ylbenzoic acid.

Molecular Properties

Compound Name2-ethoxy-6-pyrazol-1-ylbenzoic acid
PubChem CID150534802
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name2-ethoxy-6-pyrazol-1-ylbenzoic acid
SMILESCCOc1cccc(-n2cccn2)c1C(=O)O
InChIInChI=1S/C12H12N2O3/c1-2-17-10-6-3-5-9(11(10)12(15)16)14-8-4-7-13-14/h3-8H,2H2,1H3,(H,15,16)
InChIKeyIEPNSTATCYJFND-UHFFFAOYSA-N
XLogP1.97
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-pyrazol-1-ylbenzoic acid
CID 84670599
2-chloro-5-ethoxy-4-pyrazol-1-ylpyridine-3-carboxylic acid
CID 139416833
ethyl 2-hydroxy-2-(2-pyrazol-1-ylphenyl)acetate
CID 117367533
3-ethyl-2-methoxy-6-pyrazol-1-ylbenzoic acid
CID 157483711
ethyl 3-pyrazol-1-ylpyridine-2-carboxylate
CID 141444753
2,4-diethoxypyridine-3-carboxylic acid
CID 90411373
2-ethoxy-6-propylbenzoic acid
CID 142472864
1-(2-propoxyphenyl)pyrazole
CID 91373275
2-(1-chloro-2-oxopropyl)-6-ethoxybenzoic acid
CID 170837659
4-(2-ethoxyphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide
CID 30884899
diethyl 2-(5-chloro-2-pyrazol-1-ylphenyl)propanedioate
CID 71723825
1-(2,3-dimethoxyphenyl)pyrazole
CID 90873377

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-pyrazol-1-ylbenzoic acid?
The IUPAC name of 2-ethoxy-6-pyrazol-1-ylbenzoic acid (CID 150534802) is 2-ethoxy-6-pyrazol-1-ylbenzoic acid.
What is the SMILES notation for 2-ethoxy-6-pyrazol-1-ylbenzoic acid?
The canonical SMILES for 2-ethoxy-6-pyrazol-1-ylbenzoic acid is CCOc1cccc(-n2cccn2)c1C(=O)O.
What is the InChIKey of 2-ethoxy-6-pyrazol-1-ylbenzoic acid?
The InChIKey is IEPNSTATCYJFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-2-17-10-6-3-5-9(11(10)12(15)16)14-8-4-7-13-14/h3-8H,2H2,1H3,(H,15,16).
What are the key properties of 2-ethoxy-6-pyrazol-1-ylbenzoic acid?
2-ethoxy-6-pyrazol-1-ylbenzoic acid has a molecular weight of 232.24 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-pyrazol-1-ylbenzoic acid is sourced from PubChem (CID 150534802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).