3-[2-(1-methoxyethyl)phenyl]-1H-pyrazole-5-carboxylic acid

C13H14N2O3 — CID 115111272

IUPAC3-[2-(1-methoxyethyl)phenyl]-1H-pyrazole-5-carboxylic acid
SMILESCOC(C)c1ccccc1-c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C13H14N2O3/c1-8(18-2)9-5-3-4-6-10(9)11-7-12(13(16)17)15-14-11/h3-8H,1-2H3,(H,14,15)(H,16,17)
InChIKeyFKTSWPFKGGFJJZ-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.48
Rot. Bonds4

About 3-[2-(1-methoxyethyl)phenyl]-1H-pyrazole-5-carboxylic acid

3-[2-(1-methoxyethyl)phenyl]-1H-pyrazole-5-carboxylic acid (PubChem CID 115111272) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-[2-(1-methoxyethyl)phenyl]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[2-(1-methoxyethyl)phenyl]-1H-pyrazole-5-carboxylic acid
PubChem CID115111272
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name3-[2-(1-methoxyethyl)phenyl]-1H-pyrazole-5-carboxylic acid
SMILESCOC(C)c1ccccc1-c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C13H14N2O3/c1-8(18-2)9-5-3-4-6-10(9)11-7-12(13(16)17)15-14-11/h3-8H,1-2H3,(H,14,15)(H,16,17)
InChIKeyFKTSWPFKGGFJJZ-UHFFFAOYSA-N
XLogP2.48
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2-fluoropropyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117373132
3-(2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117336070
3-[2-(2-methylprop-2-enoxy)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117399111
3-(3-phenyl-4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117491617
3-(2-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 83395825
3-(3-methoxy-2-methylsulfonylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117477464
N-hydroxy-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71601258
3-[3-(2-methoxypropyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 115111283
3-[2-[carbamoyl(methyl)amino]phenyl]-1H-pyrazole-5-carboxylic acid
CID 117404430
3-[2-(2-hydroxy-2-methylpropyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 115111275
3-(2,3-dichlorophenyl)-1H-pyrazole-5-carboxylic acid
CID 83395870
3-(2-hydroxy-5-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 137011554

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methoxyethyl)phenyl]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[2-(1-methoxyethyl)phenyl]-1H-pyrazole-5-carboxylic acid (CID 115111272) is 3-[2-(1-methoxyethyl)phenyl]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[2-(1-methoxyethyl)phenyl]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[2-(1-methoxyethyl)phenyl]-1H-pyrazole-5-carboxylic acid is COC(C)c1ccccc1-c1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-[2-(1-methoxyethyl)phenyl]-1H-pyrazole-5-carboxylic acid?
The InChIKey is FKTSWPFKGGFJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-8(18-2)9-5-3-4-6-10(9)11-7-12(13(16)17)15-14-11/h3-8H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 3-[2-(1-methoxyethyl)phenyl]-1H-pyrazole-5-carboxylic acid?
3-[2-(1-methoxyethyl)phenyl]-1H-pyrazole-5-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methoxyethyl)phenyl]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 115111272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).