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

C10H8N2O3 — CID 83864592

IUPAC1-(4-hydroxyphenyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(-c2ccc(O)cc2)n1
InChIInChI=1S/C10H8N2O3/c13-8-3-1-7(2-4-8)12-6-5-9(11-12)10(14)15/h1-6,13H,(H,14,15)
InChIKeyBVHJBHNJYWZYPJ-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.28
Rot. Bonds2

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

1-(4-hydroxyphenyl)pyrazole-3-carboxylic acid (PubChem CID 83864592) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)pyrazole-3-carboxylic acid
PubChem CID83864592
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name1-(4-hydroxyphenyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(-c2ccc(O)cc2)n1
InChIInChI=1S/C10H8N2O3/c13-8-3-1-7(2-4-8)12-6-5-9(11-12)10(14)15/h1-6,13H,(H,14,15)
InChIKeyBVHJBHNJYWZYPJ-UHFFFAOYSA-N
XLogP1.28
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(4-hydroxyphenyl)pyrazole-3-carboxylic acid (CID 83864592) is 1-(4-hydroxyphenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(4-hydroxyphenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(4-hydroxyphenyl)pyrazole-3-carboxylic acid is O=C(O)c1ccn(-c2ccc(O)cc2)n1.
What is the InChIKey of 1-(4-hydroxyphenyl)pyrazole-3-carboxylic acid?
The InChIKey is BVHJBHNJYWZYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c13-8-3-1-7(2-4-8)12-6-5-9(11-12)10(14)15/h1-6,13H,(H,14,15).
What are the key properties of 1-(4-hydroxyphenyl)pyrazole-3-carboxylic acid?
1-(4-hydroxyphenyl)pyrazole-3-carboxylic acid has a molecular weight of 204.19 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 83864592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).