3-(2-ethoxyphenyl)-1-ethylpyrazole-5-carboxylic acid

C14H16N2O3 — CID 84761108

IUPAC3-(2-ethoxyphenyl)-1-ethylpyrazole-5-carboxylic acid
SMILESCCOc1ccccc1-c1cc(C(=O)O)n(CC)n1
InChIInChI=1S/C14H16N2O3/c1-3-16-12(14(17)18)9-11(15-16)10-7-5-6-8-13(10)19-4-2/h5-9H,3-4H2,1-2H3,(H,17,18)
InChIKeyNLXQTAXMNWXLFG-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.67
Rot. Bonds5

About 3-(2-ethoxyphenyl)-1-ethylpyrazole-5-carboxylic acid

3-(2-ethoxyphenyl)-1-ethylpyrazole-5-carboxylic acid (PubChem CID 84761108) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-1-ethylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-1-ethylpyrazole-5-carboxylic acid
PubChem CID84761108
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-(2-ethoxyphenyl)-1-ethylpyrazole-5-carboxylic acid
SMILESCCOc1ccccc1-c1cc(C(=O)O)n(CC)n1
InChIInChI=1S/C14H16N2O3/c1-3-16-12(14(17)18)9-11(15-16)10-7-5-6-8-13(10)19-4-2/h5-9H,3-4H2,1-2H3,(H,17,18)
InChIKeyNLXQTAXMNWXLFG-UHFFFAOYSA-N
XLogP2.67
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazine-4-carboxylic acid
CID 82444987
3-(2-chlorophenyl)-1-ethylpyrazole-5-carboxylic acid
CID 67143292
2-[6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazin-4-yl]acetonitrile
CID 82444996
6-(2-ethoxyphenyl)-2-ethyl-4-(2-hydroxypropan-2-yl)pyridazin-3-one
CID 82445000
[3-(2-ethoxyphenyl)-1-ethylpyrazol-5-yl]methanamine
CID 84761609
N,1-diethyl-3-(2-methoxyphenyl)-N-methylpyrazole-5-carboxamide
CID 42879366
1-ethyl-3-(2-methoxy-4,5-dimethylphenyl)pyrazole-5-carboxylic acid
CID 82306859
2-[5-amino-3-(2-ethoxyphenyl)pyrazol-1-yl]ethanol
CID 43348917
1-ethyl-3-pyridin-4-ylpyrazole-5-carboxylic acid
CID 82376222
6-(2-ethoxyphenyl)-3-oxo-2-propylpyridazine-4-carboximidamide
CID 82446796
3-(2-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445826
ethyl 1-methyl-3-(2-phenylmethoxyphenyl)pyrazole-5-carboxylate
CID 169144581

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-1-ethylpyrazole-5-carboxylic acid?
The IUPAC name of 3-(2-ethoxyphenyl)-1-ethylpyrazole-5-carboxylic acid (CID 84761108) is 3-(2-ethoxyphenyl)-1-ethylpyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-ethoxyphenyl)-1-ethylpyrazole-5-carboxylic acid?
The canonical SMILES for 3-(2-ethoxyphenyl)-1-ethylpyrazole-5-carboxylic acid is CCOc1ccccc1-c1cc(C(=O)O)n(CC)n1.
What is the InChIKey of 3-(2-ethoxyphenyl)-1-ethylpyrazole-5-carboxylic acid?
The InChIKey is NLXQTAXMNWXLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-16-12(14(17)18)9-11(15-16)10-7-5-6-8-13(10)19-4-2/h5-9H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 3-(2-ethoxyphenyl)-1-ethylpyrazole-5-carboxylic acid?
3-(2-ethoxyphenyl)-1-ethylpyrazole-5-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-1-ethylpyrazole-5-carboxylic acid is sourced from PubChem (CID 84761108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).