5-amino-1-(4-ethylphenyl)pyrazole-3-carboxylic acid

C12H13N3O2 — CID 82115800

IUPAC5-amino-1-(4-ethylphenyl)pyrazole-3-carboxylic acid
SMILESCCc1ccc(-n2nc(C(=O)O)cc2N)cc1
InChIInChI=1S/C12H13N3O2/c1-2-8-3-5-9(6-4-8)15-11(13)7-10(14-15)12(16)17/h3-7H,2,13H2,1H3,(H,16,17)
InChIKeyAIUOSHJVGIOGKT-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.72
Rot. Bonds3

About 5-amino-1-(4-ethylphenyl)pyrazole-3-carboxylic acid

5-amino-1-(4-ethylphenyl)pyrazole-3-carboxylic acid (PubChem CID 82115800) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 5-amino-1-(4-ethylphenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-(4-ethylphenyl)pyrazole-3-carboxylic acid
PubChem CID82115800
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name5-amino-1-(4-ethylphenyl)pyrazole-3-carboxylic acid
SMILESCCc1ccc(-n2nc(C(=O)O)cc2N)cc1
InChIInChI=1S/C12H13N3O2/c1-2-8-3-5-9(6-4-8)15-11(13)7-10(14-15)12(16)17/h3-7H,2,13H2,1H3,(H,16,17)
InChIKeyAIUOSHJVGIOGKT-UHFFFAOYSA-N
XLogP1.72
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-[4-(carboxymethyl)phenyl]pyrazole-3-carboxylic acid
CID 82589311
5-amino-1-(4-carboxyphenyl)pyrazole-3-carboxylic acid
CID 82589309
4-(5-amino-3-ethoxycarbonylpyrazol-1-yl)benzoic acid
CID 59001333
ethyl 5-amino-1-phenylpyrazole-3-carboxylate
CID 23630921
5-amino-1-(4-bromo-3-methylphenyl)pyrazole-3-carboxylic acid
CID 82124593
5-amino-1-(4-ethylphenyl)-1,2,4-triazole-3-carboxylic acid
CID 116817597
3-tert-butyl-1-(4-ethylphenyl)pyrazol-5-amine;hydrochloride
CID 68538663
5-amino-1-(3-chlorophenyl)pyrazole-3-carboxylic acid
CID 82116964
4-ethyl-1-(4-ethylphenyl)-5-oxo-1,2,4-triazole-3-carboxylic acid
CID 82485002
2-[4-(4-ethylphenyl)sulfonylphenyl]-5-methylpyrazol-3-amine
CID 2411008
1-ethyl-5-(4-ethylphenyl)pyrazole-3-carboxylic acid
CID 45037411
5-ethyl-1-(4-ethylphenyl)-1,2,4-triazole-3-carboxylic acid
CID 43652420

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-ethylphenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 5-amino-1-(4-ethylphenyl)pyrazole-3-carboxylic acid (CID 82115800) is 5-amino-1-(4-ethylphenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-amino-1-(4-ethylphenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 5-amino-1-(4-ethylphenyl)pyrazole-3-carboxylic acid is CCc1ccc(-n2nc(C(=O)O)cc2N)cc1.
What is the InChIKey of 5-amino-1-(4-ethylphenyl)pyrazole-3-carboxylic acid?
The InChIKey is AIUOSHJVGIOGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-2-8-3-5-9(6-4-8)15-11(13)7-10(14-15)12(16)17/h3-7H,2,13H2,1H3,(H,16,17).
What are the key properties of 5-amino-1-(4-ethylphenyl)pyrazole-3-carboxylic acid?
5-amino-1-(4-ethylphenyl)pyrazole-3-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-ethylphenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 82115800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).