2-[4-(2-methylphenoxy)pyrazol-1-yl]acetic acid

C12H12N2O3 — CID 115038747

IUPAC2-[4-(2-methylphenoxy)pyrazol-1-yl]acetic acid
SMILESCc1ccccc1Oc1cnn(CC(=O)O)c1
InChIInChI=1S/C12H12N2O3/c1-9-4-2-3-5-11(9)17-10-6-13-14(7-10)8-12(15)16/h2-7H,8H2,1H3,(H,15,16)
InChIKeyKHYJSEXPMFOUEV-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.07
Rot. Bonds4

About 2-[4-(2-methylphenoxy)pyrazol-1-yl]acetic acid

2-[4-(2-methylphenoxy)pyrazol-1-yl]acetic acid (PubChem CID 115038747) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-[4-(2-methylphenoxy)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-methylphenoxy)pyrazol-1-yl]acetic acid
PubChem CID115038747
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name2-[4-(2-methylphenoxy)pyrazol-1-yl]acetic acid
SMILESCc1ccccc1Oc1cnn(CC(=O)O)c1
InChIInChI=1S/C12H12N2O3/c1-9-4-2-3-5-11(9)17-10-6-13-14(7-10)8-12(15)16/h2-7H,8H2,1H3,(H,15,16)
InChIKeyKHYJSEXPMFOUEV-UHFFFAOYSA-N
XLogP2.07
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(trifluoromethyl)phenoxy]pyrazol-1-yl]acetic acid
CID 117125430
1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-one
CID 116801587
1-[2-(1-propylpyrazol-4-yl)oxyphenyl]propan-1-one
CID 116801605
1-[4-(2-methylphenoxy)pyrazol-1-yl]ethanamine
CID 117125191
5-(2-methylphenoxy)pyridine-2-carboxylic acid
CID 83643883
2-[4-[(2-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511079
2-[4-(2-hydroxyphenoxy)pyrazol-1-yl]acetaldehyde
CID 117124893
1-benzyl-4-(2-methoxyphenoxy)pyrazole
CID 117234112
2-[4-(2-fluorophenoxy)pyrazol-1-yl]ethanol
CID 117124831
3-methyl-2-(1-propylpyrazol-4-yl)oxybenzoic acid
CID 107112612
2-bromo-6-(1-propylpyrazol-4-yl)oxybenzoic acid
CID 114888731
3-[4-(3-methoxyphenoxy)pyrazol-1-yl]propanoic acid
CID 115055488

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylphenoxy)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(2-methylphenoxy)pyrazol-1-yl]acetic acid (CID 115038747) is 2-[4-(2-methylphenoxy)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-methylphenoxy)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2-methylphenoxy)pyrazol-1-yl]acetic acid is Cc1ccccc1Oc1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-(2-methylphenoxy)pyrazol-1-yl]acetic acid?
The InChIKey is KHYJSEXPMFOUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-9-4-2-3-5-11(9)17-10-6-13-14(7-10)8-12(15)16/h2-7H,8H2,1H3,(H,15,16).
What are the key properties of 2-[4-(2-methylphenoxy)pyrazol-1-yl]acetic acid?
2-[4-(2-methylphenoxy)pyrazol-1-yl]acetic acid has a molecular weight of 232.24 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylphenoxy)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 115038747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).