3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid

C10H8N2O3 — CID 135645043

IUPAC3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(O)cc2)n[nH]1
InChIInChI=1S/C10H8N2O3/c13-7-3-1-6(2-4-7)8-5-9(10(14)15)12-11-8/h1-5,13H,(H,11,12)(H,14,15)
InChIKeyYAYDMJNTBGROTD-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.48
Rot. Bonds2

About 3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid

3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 135645043) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID135645043
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(O)cc2)n[nH]1
InChIInChI=1S/C10H8N2O3/c13-7-3-1-6(2-4-7)8-5-9(10(14)15)12-11-8/h1-5,13H,(H,11,12)(H,14,15)
InChIKeyYAYDMJNTBGROTD-UHFFFAOYSA-N
XLogP1.48
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid (CID 135645043) is 3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2ccc(O)cc2)n[nH]1.
What is the InChIKey of 3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is YAYDMJNTBGROTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c13-7-3-1-6(2-4-7)8-5-9(10(14)15)12-11-8/h1-5,13H,(H,11,12)(H,14,15).
What are the key properties of 3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid?
3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 204.19 g/mol, XLogP of 1.48, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 135645043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).