2-[4-(4-hydroxyphenoxy)-5-methylpyrazol-1-yl]acetic acid

C12H12N2O4 — CID 115055555

IUPAC2-[4-(4-hydroxyphenoxy)-5-methylpyrazol-1-yl]acetic acid
SMILESCc1c(Oc2ccc(O)cc2)cnn1CC(=O)O
InChIInChI=1S/C12H12N2O4/c1-8-11(6-13-14(8)7-12(16)17)18-10-4-2-9(15)3-5-10/h2-6,15H,7H2,1H3,(H,16,17)
InChIKeyNMHVSFNEKKJOEA-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.77
Rot. Bonds4

About 2-[4-(4-hydroxyphenoxy)-5-methylpyrazol-1-yl]acetic acid

2-[4-(4-hydroxyphenoxy)-5-methylpyrazol-1-yl]acetic acid (PubChem CID 115055555) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2-[4-(4-hydroxyphenoxy)-5-methylpyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-hydroxyphenoxy)-5-methylpyrazol-1-yl]acetic acid
PubChem CID115055555
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name2-[4-(4-hydroxyphenoxy)-5-methylpyrazol-1-yl]acetic acid
SMILESCc1c(Oc2ccc(O)cc2)cnn1CC(=O)O
InChIInChI=1S/C12H12N2O4/c1-8-11(6-13-14(8)7-12(16)17)18-10-4-2-9(15)3-5-10/h2-6,15H,7H2,1H3,(H,16,17)
InChIKeyNMHVSFNEKKJOEA-UHFFFAOYSA-N
XLogP1.77
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-chlorophenoxy)-5-methylpyrazol-1-yl]acetic acid
CID 115055528
2-[4-(3-chlorophenoxy)-5-methylpyrazol-1-yl]acetic acid
CID 115055458
2-[4-(1,5-dimethylpyrazol-4-yl)oxyphenyl]acetic acid
CID 115055262
4-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)oxyphenol
CID 115055547
2-(5-methylpyrazol-1-yl)acetic acid
CID 7018400
4-phenoxyphenol;propanoic acid
CID 67658817
2-[4-(2-methylphenoxy)pyrazol-1-yl]acetic acid
CID 115038747
2-[5-(4-hydroxyphenyl)tetrazol-1-yl]acetic acid
CID 135761962
2-[5-(4-hydroxyphenyl)triazol-1-yl]acetic acid
CID 136999521
6-(4-hydroxyphenoxy)-1-methylindazole-5-carboxamide
CID 177176482
1-benzyl-4-phenoxypyrazole-5-carboxylic acid
CID 117232582
2-[4-[1-(ethylamino)ethyl]-5-methylpyrazol-1-yl]acetic acid
CID 63277012

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-hydroxyphenoxy)-5-methylpyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(4-hydroxyphenoxy)-5-methylpyrazol-1-yl]acetic acid (CID 115055555) is 2-[4-(4-hydroxyphenoxy)-5-methylpyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-hydroxyphenoxy)-5-methylpyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(4-hydroxyphenoxy)-5-methylpyrazol-1-yl]acetic acid is Cc1c(Oc2ccc(O)cc2)cnn1CC(=O)O.
What is the InChIKey of 2-[4-(4-hydroxyphenoxy)-5-methylpyrazol-1-yl]acetic acid?
The InChIKey is NMHVSFNEKKJOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-8-11(6-13-14(8)7-12(16)17)18-10-4-2-9(15)3-5-10/h2-6,15H,7H2,1H3,(H,16,17).
What are the key properties of 2-[4-(4-hydroxyphenoxy)-5-methylpyrazol-1-yl]acetic acid?
2-[4-(4-hydroxyphenoxy)-5-methylpyrazol-1-yl]acetic acid has a molecular weight of 248.24 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-hydroxyphenoxy)-5-methylpyrazol-1-yl]acetic acid is sourced from PubChem (CID 115055555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).