5-amino-1-(2-hydroxy-4-methylphenyl)pyrazole-4-carboxylic acid

C11H11N3O3 — CID 82365343

IUPAC5-amino-1-(2-hydroxy-4-methylphenyl)pyrazole-4-carboxylic acid
SMILESCc1ccc(-n2ncc(C(=O)O)c2N)c(O)c1
InChIInChI=1S/C11H11N3O3/c1-6-2-3-8(9(15)4-6)14-10(12)7(5-13-14)11(16)17/h2-5,15H,12H2,1H3,(H,16,17)
InChIKeyBJQVYROZCPPVKW-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.17
Rot. Bonds2

About 5-amino-1-(2-hydroxy-4-methylphenyl)pyrazole-4-carboxylic acid

5-amino-1-(2-hydroxy-4-methylphenyl)pyrazole-4-carboxylic acid (PubChem CID 82365343) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 5-amino-1-(2-hydroxy-4-methylphenyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-(2-hydroxy-4-methylphenyl)pyrazole-4-carboxylic acid
PubChem CID82365343
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name5-amino-1-(2-hydroxy-4-methylphenyl)pyrazole-4-carboxylic acid
SMILESCc1ccc(-n2ncc(C(=O)O)c2N)c(O)c1
InChIInChI=1S/C11H11N3O3/c1-6-2-3-8(9(15)4-6)14-10(12)7(5-13-14)11(16)17/h2-5,15H,12H2,1H3,(H,16,17)
InChIKeyBJQVYROZCPPVKW-UHFFFAOYSA-N
XLogP1.17
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-hydroxy-4-methylphenyl)-5-propylpyrazole-4-carboxylic acid
CID 82361192
5-amino-1-(3-carboxy-4-hydroxyphenyl)pyrazole-4-carboxylic acid
CID 82365367
5-amino-1-(3-chloro-4-methylphenyl)pyrazole-4-carboxylic acid
CID 79018726
5-amino-1-(2,4-dimethoxyphenyl)pyrazole-4-carboxylic acid
CID 82365358
5-amino-1-(2-bromo-5-methylphenyl)pyrazole-4-carboxamide
CID 58110915
5-amino-1-(2-methoxycarbonylphenyl)pyrazole-4-carboxylic acid
CID 82365357
5-amino-1-(4-tert-butylphenyl)pyrazole-4-carboxylic acid
CID 82089868
5-amino-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
CID 82365365
2-carboxy-5-methylphenolate
CID 54675829
ethane;2-hydroxy-4-methylbenzoic acid
CID 145280120
1-(2,5-dimethylphenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid
CID 82361395
1-(3-acetylphenyl)-5-aminopyrazole-4-carboxylic acid
CID 82365360

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-hydroxy-4-methylphenyl)pyrazole-4-carboxylic acid?
The IUPAC name of 5-amino-1-(2-hydroxy-4-methylphenyl)pyrazole-4-carboxylic acid (CID 82365343) is 5-amino-1-(2-hydroxy-4-methylphenyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-1-(2-hydroxy-4-methylphenyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 5-amino-1-(2-hydroxy-4-methylphenyl)pyrazole-4-carboxylic acid is Cc1ccc(-n2ncc(C(=O)O)c2N)c(O)c1.
What is the InChIKey of 5-amino-1-(2-hydroxy-4-methylphenyl)pyrazole-4-carboxylic acid?
The InChIKey is BJQVYROZCPPVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-6-2-3-8(9(15)4-6)14-10(12)7(5-13-14)11(16)17/h2-5,15H,12H2,1H3,(H,16,17).
What are the key properties of 5-amino-1-(2-hydroxy-4-methylphenyl)pyrazole-4-carboxylic acid?
5-amino-1-(2-hydroxy-4-methylphenyl)pyrazole-4-carboxylic acid has a molecular weight of 233.23 g/mol, XLogP of 1.17, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-hydroxy-4-methylphenyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 82365343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).