3-[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]propanoic acid

C14H16N2O3 — CID 82121422

IUPAC3-[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]propanoic acid
SMILESCOc1ccc(C)cc1-c1cc(CCC(=O)O)[nH]n1
InChIInChI=1S/C14H16N2O3/c1-9-3-5-13(19-2)11(7-9)12-8-10(15-16-12)4-6-14(17)18/h3,5,7-8H,4,6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyPYNHHIGTGLGQTG-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.41
Rot. Bonds5

About 3-[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]propanoic acid

3-[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]propanoic acid (PubChem CID 82121422) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]propanoic acid
PubChem CID82121422
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]propanoic acid
SMILESCOc1ccc(C)cc1-c1cc(CCC(=O)O)[nH]n1
InChIInChI=1S/C14H16N2O3/c1-9-3-5-13(19-2)11(7-9)12-8-10(15-16-12)4-6-14(17)18/h3,5,7-8H,4,6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyPYNHHIGTGLGQTG-UHFFFAOYSA-N
XLogP2.41
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxy-5-methylphenyl)-6-oxo-1H-pyridazine-5-carbonyl chloride
CID 82446389
5-(chloromethyl)-3-(2-methoxy-5-methylphenyl)-1H-pyridazin-6-one
CID 82446377
2-[3-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-yl]acetic acid
CID 82489022
3-[4-(2-methoxy-5-methylphenyl)-1,3-oxazol-5-yl]propanoic acid
CID 82132984
3-[4-methoxy-3-(2-methoxy-4-methylphenyl)phenyl]propanoic acid
CID 167844333
3-(2-methoxy-5-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one
CID 82446366
2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 28942199
6-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxylic acid
CID 82294071
3-[3-(1-methylindol-3-yl)-1H-pyrazol-5-yl]propanoic acid
CID 82487888
4-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid
CID 28799435
2-[6-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyridin-3-yl]acetic acid
CID 82517496
3-[3-(2,5-dimethylphenyl)-1H-1,2,4-triazol-5-yl]propanoic acid
CID 82478918

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]propanoic acid?
The IUPAC name of 3-[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]propanoic acid (CID 82121422) is 3-[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]propanoic acid?
The canonical SMILES for 3-[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]propanoic acid is COc1ccc(C)cc1-c1cc(CCC(=O)O)[nH]n1.
What is the InChIKey of 3-[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]propanoic acid?
The InChIKey is PYNHHIGTGLGQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9-3-5-13(19-2)11(7-9)12-8-10(15-16-12)4-6-14(17)18/h3,5,7-8H,4,6H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 3-[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]propanoic acid?
3-[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]propanoic acid has a molecular weight of 260.29 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]propanoic acid is sourced from PubChem (CID 82121422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).