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

C11H9N3O4 — CID 82589309

IUPAC5-amino-1-(4-carboxyphenyl)pyrazole-3-carboxylic acid
SMILESNc1cc(C(=O)O)nn1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C11H9N3O4/c12-9-5-8(11(17)18)13-14(9)7-3-1-6(2-4-7)10(15)16/h1-5H,12H2,(H,15,16)(H,17,18)
InChIKeyROHVBXZFKRDXDL-UHFFFAOYSA-N
MW247.21 g/mol
LogP0.85
Rot. Bonds3

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

5-amino-1-(4-carboxyphenyl)pyrazole-3-carboxylic acid (PubChem CID 82589309) has the molecular formula C11H9N3O4 and a molecular weight of 247.21 g/mol. Its IUPAC name is 5-amino-1-(4-carboxyphenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-(4-carboxyphenyl)pyrazole-3-carboxylic acid
PubChem CID82589309
Molecular FormulaC11H9N3O4
Molecular Weight247.21 g/mol
Exact Mass247.06
IUPAC Name5-amino-1-(4-carboxyphenyl)pyrazole-3-carboxylic acid
SMILESNc1cc(C(=O)O)nn1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C11H9N3O4/c12-9-5-8(11(17)18)13-14(9)7-3-1-6(2-4-7)10(15)16/h1-5H,12H2,(H,15,16)(H,17,18)
InChIKeyROHVBXZFKRDXDL-UHFFFAOYSA-N
XLogP0.85
TPSA118.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-amino-3-ethoxycarbonylpyrazol-1-yl)benzoic acid
CID 59001333
5-amino-1-[4-(carboxymethyl)phenyl]pyrazole-3-carboxylic acid
CID 82589311
5-amino-1-(4-ethylphenyl)pyrazole-3-carboxylic acid
CID 82115800
5-amino-1-(3-chlorophenyl)pyrazole-3-carboxylic acid
CID 82116964
5-amino-1-(4-bromo-3-methylphenyl)pyrazole-3-carboxylic acid
CID 82124593
5-(4-carboxyphenyl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxylic acid
CID 118735617
ethyl 5-amino-1-phenylpyrazole-3-carboxylate
CID 23630921
1-(4-methoxycarbonylphenyl)-5-methylpyrazole-3-carboxylic acid
CID 82361682
1-(4-methoxycarbonylphenyl)-5-propylpyrazole-3-carboxylic acid
CID 82361807
5-amino-1-(4-chloro-2-methylphenyl)pyrazole-3-carboxylic acid
CID 82119560
4-(3-chloro-6-oxopyridazin-1-yl)benzoic acid
CID 53211818
5-methyl-1-(4-propoxycarbonylphenyl)pyrazole-3-carboxylic acid
CID 82361649

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-carboxyphenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 5-amino-1-(4-carboxyphenyl)pyrazole-3-carboxylic acid (CID 82589309) is 5-amino-1-(4-carboxyphenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-amino-1-(4-carboxyphenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 5-amino-1-(4-carboxyphenyl)pyrazole-3-carboxylic acid is Nc1cc(C(=O)O)nn1-c1ccc(C(=O)O)cc1.
What is the InChIKey of 5-amino-1-(4-carboxyphenyl)pyrazole-3-carboxylic acid?
The InChIKey is ROHVBXZFKRDXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O4/c12-9-5-8(11(17)18)13-14(9)7-3-1-6(2-4-7)10(15)16/h1-5H,12H2,(H,15,16)(H,17,18).
What are the key properties of 5-amino-1-(4-carboxyphenyl)pyrazole-3-carboxylic acid?
5-amino-1-(4-carboxyphenyl)pyrazole-3-carboxylic acid has a molecular weight of 247.21 g/mol, XLogP of 0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-carboxyphenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 82589309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).