3-amino-1-(3-hydroxyphenyl)pyrazole-5-carboxylic acid

C10H9N3O3 — CID 83864041

IUPAC3-amino-1-(3-hydroxyphenyl)pyrazole-5-carboxylic acid
SMILESNc1cc(C(=O)O)n(-c2cccc(O)c2)n1
InChIInChI=1S/C10H9N3O3/c11-9-5-8(10(15)16)13(12-9)6-2-1-3-7(14)4-6/h1-5,14H,(H2,11,12)(H,15,16)
InChIKeyUYKAEQBZHNGATL-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.86
Rot. Bonds2

About 3-amino-1-(3-hydroxyphenyl)pyrazole-5-carboxylic acid

3-amino-1-(3-hydroxyphenyl)pyrazole-5-carboxylic acid (PubChem CID 83864041) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 3-amino-1-(3-hydroxyphenyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(3-hydroxyphenyl)pyrazole-5-carboxylic acid
PubChem CID83864041
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name3-amino-1-(3-hydroxyphenyl)pyrazole-5-carboxylic acid
SMILESNc1cc(C(=O)O)n(-c2cccc(O)c2)n1
InChIInChI=1S/C10H9N3O3/c11-9-5-8(10(15)16)13(12-9)6-2-1-3-7(14)4-6/h1-5,14H,(H2,11,12)(H,15,16)
InChIKeyUYKAEQBZHNGATL-UHFFFAOYSA-N
XLogP0.86
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-hydroxyphenyl)pyrazole-5-carboxylic acid?
The IUPAC name of 3-amino-1-(3-hydroxyphenyl)pyrazole-5-carboxylic acid (CID 83864041) is 3-amino-1-(3-hydroxyphenyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-amino-1-(3-hydroxyphenyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 3-amino-1-(3-hydroxyphenyl)pyrazole-5-carboxylic acid is Nc1cc(C(=O)O)n(-c2cccc(O)c2)n1.
What is the InChIKey of 3-amino-1-(3-hydroxyphenyl)pyrazole-5-carboxylic acid?
The InChIKey is UYKAEQBZHNGATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c11-9-5-8(10(15)16)13(12-9)6-2-1-3-7(14)4-6/h1-5,14H,(H2,11,12)(H,15,16).
What are the key properties of 3-amino-1-(3-hydroxyphenyl)pyrazole-5-carboxylic acid?
3-amino-1-(3-hydroxyphenyl)pyrazole-5-carboxylic acid has a molecular weight of 219.20 g/mol, XLogP of 0.86, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-hydroxyphenyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 83864041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).