2-(3,5-dimethylpyrazol-1-yl)-5-hydroxybenzoic acid

C12H12N2O3 — CID 84695435

IUPAC2-(3,5-dimethylpyrazol-1-yl)-5-hydroxybenzoic acid
SMILESCc1cc(C)n(-c2ccc(O)cc2C(=O)O)n1
InChIInChI=1S/C12H12N2O3/c1-7-5-8(2)14(13-7)11-4-3-9(15)6-10(11)12(16)17/h3-6,15H,1-2H3,(H,16,17)
InChIKeyGGHUQUSPDIAZGG-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.89
Rot. Bonds2

About 2-(3,5-dimethylpyrazol-1-yl)-5-hydroxybenzoic acid

2-(3,5-dimethylpyrazol-1-yl)-5-hydroxybenzoic acid (PubChem CID 84695435) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-5-hydroxybenzoic acid.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-5-hydroxybenzoic acid
PubChem CID84695435
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-5-hydroxybenzoic acid
SMILESCc1cc(C)n(-c2ccc(O)cc2C(=O)O)n1
InChIInChI=1S/C12H12N2O3/c1-7-5-8(2)14(13-7)11-4-3-9(15)6-10(11)12(16)17/h3-6,15H,1-2H3,(H,16,17)
InChIKeyGGHUQUSPDIAZGG-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-5-(1,3-dioxoisoindol-2-yl)benzoic acid
CID 168517900
carbonic acid;2-(3,5-dimethylpyrazol-1-yl)phenol
CID 118510416
methyl 5-amino-2-(3,5-dimethylpyrazol-1-yl)benzoate
CID 61311497
2-(3,5-dimethylpyrazol-1-yl)phenol
CID 761553
5-(3,5-dimethylpyrazol-1-yl)-2-methoxybenzoic acid
CID 82513661
3-(3,5-dimethylpyrazol-1-yl)-4-methoxybenzoic acid
CID 71308083
2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-hydroxybenzoic acid
CID 66127110
2-(azepan-1-yl)-5-hydroxybenzoic acid
CID 12784733
5-(3,5-dimethylpyrazol-1-yl)benzene-1,3-dicarboxylic acid
CID 976376
2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylic acid
CID 79015205
azanium 2-carboxy-4-hydroxyphenolate
CID 54715378
5-bromo-2-(3,5-dimethylpyrazol-1-yl)benzenecarbothioamide
CID 114892139

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-5-hydroxybenzoic acid?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-5-hydroxybenzoic acid (CID 84695435) is 2-(3,5-dimethylpyrazol-1-yl)-5-hydroxybenzoic acid.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-5-hydroxybenzoic acid?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-5-hydroxybenzoic acid is Cc1cc(C)n(-c2ccc(O)cc2C(=O)O)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-5-hydroxybenzoic acid?
The InChIKey is GGHUQUSPDIAZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-7-5-8(2)14(13-7)11-4-3-9(15)6-10(11)12(16)17/h3-6,15H,1-2H3,(H,16,17).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-5-hydroxybenzoic acid?
2-(3,5-dimethylpyrazol-1-yl)-5-hydroxybenzoic acid has a molecular weight of 232.24 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-5-hydroxybenzoic acid is sourced from PubChem (CID 84695435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).