2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]benzoic acid

C14H16N2O3 — CID 43532474

IUPAC2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]benzoic acid
SMILESCc1cc(C)n(CCOc2ccccc2C(=O)O)n1
InChIInChI=1S/C14H16N2O3/c1-10-9-11(2)16(15-10)7-8-19-13-6-4-3-5-12(13)14(17)18/h3-6,9H,7-8H2,1-2H3,(H,17,18)
InChIKeyFUSNIVGDJRKTAK-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.28
Rot. Bonds5

About 2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]benzoic acid

2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]benzoic acid (PubChem CID 43532474) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]benzoic acid
PubChem CID43532474
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]benzoic acid
SMILESCc1cc(C)n(CCOc2ccccc2C(=O)O)n1
InChIInChI=1S/C14H16N2O3/c1-10-9-11(2)16(15-10)7-8-19-13-6-4-3-5-12(13)14(17)18/h3-6,9H,7-8H2,1-2H3,(H,17,18)
InChIKeyFUSNIVGDJRKTAK-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]benzenecarbothioamide
CID 43290858
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethoxybenzamide
CID 35525612
1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62449080
2-[3-(3,4,5-trimethylpyrazol-1-yl)propoxy]benzoic acid
CID 63072882
2-[2-(2-acetylphenoxy)ethyl]-6-methylpyridazin-3-one
CID 62923744
2-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]ethoxy]benzoic acid
CID 103258003
N-(5-methyl-2-propylpyrazol-3-yl)-2-propoxybenzamide
CID 21250740
3-phenoxypropyl 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55568167
2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
CID 2215647
2-[2-(2,5-dimethylphenoxy)ethoxy]benzoic acid
CID 22682108
2-butoxybenzoic acid;carbonic acid
CID 137455653
2-(2-thiomorpholin-4-ylethoxy)benzoic acid
CID 43532595

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]benzoic acid?
The IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]benzoic acid (CID 43532474) is 2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]benzoic acid.
What is the SMILES notation for 2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]benzoic acid?
The canonical SMILES for 2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]benzoic acid is Cc1cc(C)n(CCOc2ccccc2C(=O)O)n1.
What is the InChIKey of 2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]benzoic acid?
The InChIKey is FUSNIVGDJRKTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10-9-11(2)16(15-10)7-8-19-13-6-4-3-5-12(13)14(17)18/h3-6,9H,7-8H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]benzoic acid?
2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]benzoic acid has a molecular weight of 260.29 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]benzoic acid is sourced from PubChem (CID 43532474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).