3-(4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxylic acid

C12H12N2O3 — CID 139311628

IUPAC3-(4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxylic acid
SMILESCc1c(C(=O)O)c(-c2ccc(O)cc2)nn1C
InChIInChI=1S/C12H12N2O3/c1-7-10(12(16)17)11(13-14(7)2)8-3-5-9(15)6-4-8/h3-6,15H,1-2H3,(H,16,17)
InChIKeyDJGQEJLXHJVUCT-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.80
Rot. Bonds2

About 3-(4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxylic acid

3-(4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxylic acid (PubChem CID 139311628) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxylic acid
PubChem CID139311628
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name3-(4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxylic acid
SMILESCc1c(C(=O)O)c(-c2ccc(O)cc2)nn1C
InChIInChI=1S/C12H12N2O3/c1-7-10(12(16)17)11(13-14(7)2)8-3-5-9(15)6-4-8/h3-6,15H,1-2H3,(H,16,17)
InChIKeyDJGQEJLXHJVUCT-UHFFFAOYSA-N
XLogP1.80
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxylic acid?
The IUPAC name of 3-(4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxylic acid (CID 139311628) is 3-(4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-(4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-(4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxylic acid is Cc1c(C(=O)O)c(-c2ccc(O)cc2)nn1C.
What is the InChIKey of 3-(4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxylic acid?
The InChIKey is DJGQEJLXHJVUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-7-10(12(16)17)11(13-14(7)2)8-3-5-9(15)6-4-8/h3-6,15H,1-2H3,(H,16,17).
What are the key properties of 3-(4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxylic acid?
3-(4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxylic acid is sourced from PubChem (CID 139311628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).