3-(2-pyrazol-1-ylethoxy)naphthalene-2-carboxylic acid

C16H14N2O3 — CID 61491780

IUPAC3-(2-pyrazol-1-ylethoxy)naphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2cc1OCCn1cccn1
InChIInChI=1S/C16H14N2O3/c19-16(20)14-10-12-4-1-2-5-13(12)11-15(14)21-9-8-18-7-3-6-17-18/h1-7,10-11H,8-9H2,(H,19,20)
InChIKeyOJGJBGQGSGYGML-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.81
Rot. Bonds5

About 3-(2-pyrazol-1-ylethoxy)naphthalene-2-carboxylic acid

3-(2-pyrazol-1-ylethoxy)naphthalene-2-carboxylic acid (PubChem CID 61491780) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-(2-pyrazol-1-ylethoxy)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-pyrazol-1-ylethoxy)naphthalene-2-carboxylic acid
PubChem CID61491780
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name3-(2-pyrazol-1-ylethoxy)naphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2cc1OCCn1cccn1
InChIInChI=1S/C16H14N2O3/c19-16(20)14-10-12-4-1-2-5-13(12)11-15(14)21-9-8-18-7-3-6-17-18/h1-7,10-11H,8-9H2,(H,19,20)
InChIKeyOJGJBGQGSGYGML-UHFFFAOYSA-N
XLogP2.81
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-propoxy-2-(2-pyrazol-1-ylethoxy)benzoic acid
CID 61491942
3-[3-[3-[3-(3-carboxynaphthalen-2-yl)oxypropoxy]naphthalen-2-yl]oxypropoxy]naphthalene-2-carboxylic acid
CID 67635252
3-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid
CID 107702043
1-[2-(4-bromophenoxy)ethyl]pyrazole
CID 46739423
3-(2-methylbutoxy)naphthalene-2-carboxylic acid
CID 62104724
[5-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]boronic acid
CID 54962304
3-(2-aminopropoxy)naphthalene-2-carboxylic acid;hydrochloride
CID 170916397
1-(3-phenoxypropyl)pyrazole
CID 55028379
3-[2-(methylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid
CID 18069619
3-(2-pyrazol-1-ylethoxy)pyridin-2-amine
CID 61491639
1-[3-(2-chloro-4-phenoxyphenoxy)propyl]pyrazole
CID 19759768
1-[2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethyl]pyrazole
CID 102674559

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyrazol-1-ylethoxy)naphthalene-2-carboxylic acid?
The IUPAC name of 3-(2-pyrazol-1-ylethoxy)naphthalene-2-carboxylic acid (CID 61491780) is 3-(2-pyrazol-1-ylethoxy)naphthalene-2-carboxylic acid.
What is the SMILES notation for 3-(2-pyrazol-1-ylethoxy)naphthalene-2-carboxylic acid?
The canonical SMILES for 3-(2-pyrazol-1-ylethoxy)naphthalene-2-carboxylic acid is O=C(O)c1cc2ccccc2cc1OCCn1cccn1.
What is the InChIKey of 3-(2-pyrazol-1-ylethoxy)naphthalene-2-carboxylic acid?
The InChIKey is OJGJBGQGSGYGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-16(20)14-10-12-4-1-2-5-13(12)11-15(14)21-9-8-18-7-3-6-17-18/h1-7,10-11H,8-9H2,(H,19,20).
What are the key properties of 3-(2-pyrazol-1-ylethoxy)naphthalene-2-carboxylic acid?
3-(2-pyrazol-1-ylethoxy)naphthalene-2-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyrazol-1-ylethoxy)naphthalene-2-carboxylic acid is sourced from PubChem (CID 61491780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).