2-[3-amino-1-(2-hydroxyphenyl)pyrazol-5-yl]acetic acid

C11H11N3O3 — CID 83863982

IUPAC2-[3-amino-1-(2-hydroxyphenyl)pyrazol-5-yl]acetic acid
SMILESNc1cc(CC(=O)O)n(-c2ccccc2O)n1
InChIInChI=1S/C11H11N3O3/c12-10-5-7(6-11(16)17)14(13-10)8-3-1-2-4-9(8)15/h1-5,15H,6H2,(H2,12,13)(H,16,17)
InChIKeyZWZSFYGXGPRIKZ-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.79
Rot. Bonds3

About 2-[3-amino-1-(2-hydroxyphenyl)pyrazol-5-yl]acetic acid

2-[3-amino-1-(2-hydroxyphenyl)pyrazol-5-yl]acetic acid (PubChem CID 83863982) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-[3-amino-1-(2-hydroxyphenyl)pyrazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-amino-1-(2-hydroxyphenyl)pyrazol-5-yl]acetic acid
PubChem CID83863982
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name2-[3-amino-1-(2-hydroxyphenyl)pyrazol-5-yl]acetic acid
SMILESNc1cc(CC(=O)O)n(-c2ccccc2O)n1
InChIInChI=1S/C11H11N3O3/c12-10-5-7(6-11(16)17)14(13-10)8-3-1-2-4-9(8)15/h1-5,15H,6H2,(H2,12,13)(H,16,17)
InChIKeyZWZSFYGXGPRIKZ-UHFFFAOYSA-N
XLogP0.79
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-1-(2-hydroxyphenyl)pyrazol-5-yl]acetic acid?
The IUPAC name of 2-[3-amino-1-(2-hydroxyphenyl)pyrazol-5-yl]acetic acid (CID 83863982) is 2-[3-amino-1-(2-hydroxyphenyl)pyrazol-5-yl]acetic acid.
What is the SMILES notation for 2-[3-amino-1-(2-hydroxyphenyl)pyrazol-5-yl]acetic acid?
The canonical SMILES for 2-[3-amino-1-(2-hydroxyphenyl)pyrazol-5-yl]acetic acid is Nc1cc(CC(=O)O)n(-c2ccccc2O)n1.
What is the InChIKey of 2-[3-amino-1-(2-hydroxyphenyl)pyrazol-5-yl]acetic acid?
The InChIKey is ZWZSFYGXGPRIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c12-10-5-7(6-11(16)17)14(13-10)8-3-1-2-4-9(8)15/h1-5,15H,6H2,(H2,12,13)(H,16,17).
What are the key properties of 2-[3-amino-1-(2-hydroxyphenyl)pyrazol-5-yl]acetic acid?
2-[3-amino-1-(2-hydroxyphenyl)pyrazol-5-yl]acetic acid has a molecular weight of 233.23 g/mol, XLogP of 0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-1-(2-hydroxyphenyl)pyrazol-5-yl]acetic acid is sourced from PubChem (CID 83863982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).