4-hydroxy-1-(4-hydroxyphenyl)pyrazole-5-carboxylic acid

C10H8N2O4 — CID 117233109

IUPAC4-hydroxy-1-(4-hydroxyphenyl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1c(O)cnn1-c1ccc(O)cc1
InChIInChI=1S/C10H8N2O4/c13-7-3-1-6(2-4-7)12-9(10(15)16)8(14)5-11-12/h1-5,13-14H,(H,15,16)
InChIKeyIBZOIMATDPDHFC-UHFFFAOYSA-N
MW220.18 g/mol
LogP0.98
Rot. Bonds2

About 4-hydroxy-1-(4-hydroxyphenyl)pyrazole-5-carboxylic acid

4-hydroxy-1-(4-hydroxyphenyl)pyrazole-5-carboxylic acid (PubChem CID 117233109) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 4-hydroxy-1-(4-hydroxyphenyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(4-hydroxyphenyl)pyrazole-5-carboxylic acid
PubChem CID117233109
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name4-hydroxy-1-(4-hydroxyphenyl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1c(O)cnn1-c1ccc(O)cc1
InChIInChI=1S/C10H8N2O4/c13-7-3-1-6(2-4-7)12-9(10(15)16)8(14)5-11-12/h1-5,13-14H,(H,15,16)
InChIKeyIBZOIMATDPDHFC-UHFFFAOYSA-N
XLogP0.98
TPSA95.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(4-hydroxyphenyl)pyrazole-5-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(4-hydroxyphenyl)pyrazole-5-carboxylic acid (CID 117233109) is 4-hydroxy-1-(4-hydroxyphenyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(4-hydroxyphenyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(4-hydroxyphenyl)pyrazole-5-carboxylic acid is O=C(O)c1c(O)cnn1-c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-1-(4-hydroxyphenyl)pyrazole-5-carboxylic acid?
The InChIKey is IBZOIMATDPDHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c13-7-3-1-6(2-4-7)12-9(10(15)16)8(14)5-11-12/h1-5,13-14H,(H,15,16).
What are the key properties of 4-hydroxy-1-(4-hydroxyphenyl)pyrazole-5-carboxylic acid?
4-hydroxy-1-(4-hydroxyphenyl)pyrazole-5-carboxylic acid has a molecular weight of 220.18 g/mol, XLogP of 0.98, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(4-hydroxyphenyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 117233109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).