5-[(2-hydroxyphenoxy)methyl]-1H-pyrazole-3-carboxylic acid

C11H10N2O4 — CID 117215961

IUPAC5-[(2-hydroxyphenoxy)methyl]-1H-pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(COc2ccccc2O)[nH]n1
InChIInChI=1S/C11H10N2O4/c14-9-3-1-2-4-10(9)17-6-7-5-8(11(15)16)13-12-7/h1-5,14H,6H2,(H,12,13)(H,15,16)
InChIKeyDZGFPESKFSSKQR-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.39
Rot. Bonds4

About 5-[(2-hydroxyphenoxy)methyl]-1H-pyrazole-3-carboxylic acid

5-[(2-hydroxyphenoxy)methyl]-1H-pyrazole-3-carboxylic acid (PubChem CID 117215961) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 5-[(2-hydroxyphenoxy)methyl]-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-hydroxyphenoxy)methyl]-1H-pyrazole-3-carboxylic acid
PubChem CID117215961
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name5-[(2-hydroxyphenoxy)methyl]-1H-pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(COc2ccccc2O)[nH]n1
InChIInChI=1S/C11H10N2O4/c14-9-3-1-2-4-10(9)17-6-7-5-8(11(15)16)13-12-7/h1-5,14H,6H2,(H,12,13)(H,15,16)
InChIKeyDZGFPESKFSSKQR-UHFFFAOYSA-N
XLogP1.39
TPSA95.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxyphenoxy)methyl]-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-[(2-hydroxyphenoxy)methyl]-1H-pyrazole-3-carboxylic acid (CID 117215961) is 5-[(2-hydroxyphenoxy)methyl]-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[(2-hydroxyphenoxy)methyl]-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-[(2-hydroxyphenoxy)methyl]-1H-pyrazole-3-carboxylic acid is O=C(O)c1cc(COc2ccccc2O)[nH]n1.
What is the InChIKey of 5-[(2-hydroxyphenoxy)methyl]-1H-pyrazole-3-carboxylic acid?
The InChIKey is DZGFPESKFSSKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c14-9-3-1-2-4-10(9)17-6-7-5-8(11(15)16)13-12-7/h1-5,14H,6H2,(H,12,13)(H,15,16).
What are the key properties of 5-[(2-hydroxyphenoxy)methyl]-1H-pyrazole-3-carboxylic acid?
5-[(2-hydroxyphenoxy)methyl]-1H-pyrazole-3-carboxylic acid has a molecular weight of 234.21 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxyphenoxy)methyl]-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 117215961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).