1-(4-ethoxyphenyl)-3-ethylpyrazole-4-carboxylic acid

C14H16N2O3 — CID 82301662

IUPAC1-(4-ethoxyphenyl)-3-ethylpyrazole-4-carboxylic acid
SMILESCCOc1ccc(-n2cc(C(=O)O)c(CC)n2)cc1
InChIInChI=1S/C14H16N2O3/c1-3-13-12(14(17)18)9-16(15-13)10-5-7-11(8-6-10)19-4-2/h5-9H,3-4H2,1-2H3,(H,17,18)
InChIKeyHWJRAILUNVABJO-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.53
Rot. Bonds5

About 1-(4-ethoxyphenyl)-3-ethylpyrazole-4-carboxylic acid

1-(4-ethoxyphenyl)-3-ethylpyrazole-4-carboxylic acid (PubChem CID 82301662) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-ethylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-ethylpyrazole-4-carboxylic acid
PubChem CID82301662
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-(4-ethoxyphenyl)-3-ethylpyrazole-4-carboxylic acid
SMILESCCOc1ccc(-n2cc(C(=O)O)c(CC)n2)cc1
InChIInChI=1S/C14H16N2O3/c1-3-13-12(14(17)18)9-16(15-13)10-5-7-11(8-6-10)19-4-2/h5-9H,3-4H2,1-2H3,(H,17,18)
InChIKeyHWJRAILUNVABJO-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid
CID 82297656
3-ethyl-1-(3-methoxyphenyl)pyrazole-4-carboxylic acid
CID 82295157
methyl 3-ethyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate
CID 66778583
1-(4-ethoxyphenyl)-4-(hydroxymethyl)pyrazole-3-carboxylic acid
CID 82133213
3-ethyl-1-pyridin-3-ylpyrazole-4-carboxylic acid
CID 67456871
ethyl 4-acetyl-1-(4-ethoxyphenyl)pyrazole-3-carboxylate
CID 28811414
1-(4-ethoxyphenyl)-2-oxopyridine-3-carboxylic acid
CID 82121141
1-(4-ethoxyphenyl)-5-methylpyrazole-4-carboxylic acid
CID 82086071
1-(4-ethoxyphenyl)-5-ethyl-1,2,4-triazole-3-carboxylic acid
CID 43652311
1-(2,4-dimethylphenyl)-3-ethylpyrazole-4-carboxylic acid
CID 82294247
1-(4-ethoxyphenyl)-3-ethyl-1,2,4-triazole
CID 90935639
N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 70687976

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-ethylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(4-ethoxyphenyl)-3-ethylpyrazole-4-carboxylic acid (CID 82301662) is 1-(4-ethoxyphenyl)-3-ethylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-ethylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-ethylpyrazole-4-carboxylic acid is CCOc1ccc(-n2cc(C(=O)O)c(CC)n2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-ethylpyrazole-4-carboxylic acid?
The InChIKey is HWJRAILUNVABJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-13-12(14(17)18)9-16(15-13)10-5-7-11(8-6-10)19-4-2/h5-9H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 1-(4-ethoxyphenyl)-3-ethylpyrazole-4-carboxylic acid?
1-(4-ethoxyphenyl)-3-ethylpyrazole-4-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-ethylpyrazole-4-carboxylic acid is sourced from PubChem (CID 82301662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).