3-(2-ethoxynaphthalen-1-yl)-1H-pyrazole-5-carboxylic acid

C16H14N2O3 — CID 5135950

IUPAC3-(2-ethoxynaphthalen-1-yl)-1H-pyrazole-5-carboxylic acid
SMILESCCOc1ccc2ccccc2c1-c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C16H14N2O3/c1-2-21-14-8-7-10-5-3-4-6-11(10)15(14)12-9-13(16(19)20)18-17-12/h3-9H,2H2,1H3,(H,17,18)(H,19,20)
InChIKeyDKTHAXRSKKGUGK-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.33
Rot. Bonds4

About 3-(2-ethoxynaphthalen-1-yl)-1H-pyrazole-5-carboxylic acid

3-(2-ethoxynaphthalen-1-yl)-1H-pyrazole-5-carboxylic acid (PubChem CID 5135950) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-(2-ethoxynaphthalen-1-yl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-ethoxynaphthalen-1-yl)-1H-pyrazole-5-carboxylic acid
PubChem CID5135950
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name3-(2-ethoxynaphthalen-1-yl)-1H-pyrazole-5-carboxylic acid
SMILESCCOc1ccc2ccccc2c1-c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C16H14N2O3/c1-2-21-14-8-7-10-5-3-4-6-11(10)15(14)12-9-13(16(19)20)18-17-12/h3-9H,2H2,1H3,(H,17,18)(H,19,20)
InChIKeyDKTHAXRSKKGUGK-UHFFFAOYSA-N
XLogP3.33
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2-ethoxynaphthalen-1-yl)-1H-pyrazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxynaphthalen-1-yl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(2-ethoxynaphthalen-1-yl)-1H-pyrazole-5-carboxylic acid (CID 5135950) is 3-(2-ethoxynaphthalen-1-yl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-ethoxynaphthalen-1-yl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(2-ethoxynaphthalen-1-yl)-1H-pyrazole-5-carboxylic acid is CCOc1ccc2ccccc2c1-c1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-(2-ethoxynaphthalen-1-yl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is DKTHAXRSKKGUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-2-21-14-8-7-10-5-3-4-6-11(10)15(14)12-9-13(16(19)20)18-17-12/h3-9H,2H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-(2-ethoxynaphthalen-1-yl)-1H-pyrazole-5-carboxylic acid?
3-(2-ethoxynaphthalen-1-yl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxynaphthalen-1-yl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 5135950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).