5-amino-1-(3-carboxy-4-hydroxyphenyl)pyrazole-4-carboxylic acid

C11H9N3O5 — CID 82365367

IUPAC5-amino-1-(3-carboxy-4-hydroxyphenyl)pyrazole-4-carboxylic acid
SMILESNc1c(C(=O)O)cnn1-c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C11H9N3O5/c12-9-7(11(18)19)4-13-14(9)5-1-2-8(15)6(3-5)10(16)17/h1-4,15H,12H2,(H,16,17)(H,18,19)
InChIKeyOQDPVHIFPIFLCS-UHFFFAOYSA-N
MW263.21 g/mol
LogP0.56
Rot. Bonds3

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

5-amino-1-(3-carboxy-4-hydroxyphenyl)pyrazole-4-carboxylic acid (PubChem CID 82365367) has the molecular formula C11H9N3O5 and a molecular weight of 263.21 g/mol. Its IUPAC name is 5-amino-1-(3-carboxy-4-hydroxyphenyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-(3-carboxy-4-hydroxyphenyl)pyrazole-4-carboxylic acid
PubChem CID82365367
Molecular FormulaC11H9N3O5
Molecular Weight263.21 g/mol
Exact Mass263.05
IUPAC Name5-amino-1-(3-carboxy-4-hydroxyphenyl)pyrazole-4-carboxylic acid
SMILESNc1c(C(=O)O)cnn1-c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C11H9N3O5/c12-9-7(11(18)19)4-13-14(9)5-1-2-8(15)6(3-5)10(16)17/h1-4,15H,12H2,(H,16,17)(H,18,19)
InChIKeyOQDPVHIFPIFLCS-UHFFFAOYSA-N
XLogP0.56
TPSA138.67 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 50.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-1-(3-chloro-4-methylphenyl)pyrazole-4-carboxylic acid
CID 79018726
5-amino-1-(4-tert-butylphenyl)pyrazole-4-carboxylic acid
CID 82089868
1-(3-acetylphenyl)-5-aminopyrazole-4-carboxylic acid
CID 82365360
5-amino-1-(3-methylsulfanylphenyl)pyrazole-4-carboxylic acid
CID 82365387
5-amino-1-(2-hydroxy-4-methylphenyl)pyrazole-4-carboxylic acid
CID 82365343
5-(5-amino-4-carbamoylpyrazol-1-yl)-2-chlorobenzoate
CID 2414021
5-amino-1-(4-chloro-3-fluorophenyl)pyrazole-4-carboxamide
CID 83241101
5-amino-1-(4-phenylphenyl)pyrazole-4-carboxamide
CID 97036087
5-amino-1-(3-aminophenyl)pyrazole-4-carboxamide
CID 58110948
5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-hydroxybenzoic acid
CID 169326792
5-(4-acetyl-5-methyltriazol-1-yl)-2-hydroxybenzoic acid
CID 82201506
5-(4-carbamoylpiperazin-1-yl)-2-hydroxybenzoic acid
CID 4740886

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-carboxy-4-hydroxyphenyl)pyrazole-4-carboxylic acid?
The IUPAC name of 5-amino-1-(3-carboxy-4-hydroxyphenyl)pyrazole-4-carboxylic acid (CID 82365367) is 5-amino-1-(3-carboxy-4-hydroxyphenyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-1-(3-carboxy-4-hydroxyphenyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 5-amino-1-(3-carboxy-4-hydroxyphenyl)pyrazole-4-carboxylic acid is Nc1c(C(=O)O)cnn1-c1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 5-amino-1-(3-carboxy-4-hydroxyphenyl)pyrazole-4-carboxylic acid?
The InChIKey is OQDPVHIFPIFLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O5/c12-9-7(11(18)19)4-13-14(9)5-1-2-8(15)6(3-5)10(16)17/h1-4,15H,12H2,(H,16,17)(H,18,19).
What are the key properties of 5-amino-1-(3-carboxy-4-hydroxyphenyl)pyrazole-4-carboxylic acid?
5-amino-1-(3-carboxy-4-hydroxyphenyl)pyrazole-4-carboxylic acid has a molecular weight of 263.21 g/mol, XLogP of 0.56, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-carboxy-4-hydroxyphenyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 82365367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).