5-(5-amino-1H-pyrazol-4-yl)-2,4-dihydroxybenzoic acid

C10H9N3O4 — CID 117341582

IUPAC5-(5-amino-1H-pyrazol-4-yl)-2,4-dihydroxybenzoic acid
SMILESNc1[nH]ncc1-c1cc(C(=O)O)c(O)cc1O
InChIInChI=1S/C10H9N3O4/c11-9-6(3-12-13-9)4-1-5(10(16)17)8(15)2-7(4)14/h1-3,14-15H,(H,16,17)(H3,11,12,13)
InChIKeyORGYIBWSOVDCKD-UHFFFAOYSA-N
MW235.20 g/mol
LogP0.77
Rot. Bonds2

About 5-(5-amino-1H-pyrazol-4-yl)-2,4-dihydroxybenzoic acid

5-(5-amino-1H-pyrazol-4-yl)-2,4-dihydroxybenzoic acid (PubChem CID 117341582) has the molecular formula C10H9N3O4 and a molecular weight of 235.20 g/mol. Its IUPAC name is 5-(5-amino-1H-pyrazol-4-yl)-2,4-dihydroxybenzoic acid.

Molecular Properties

Compound Name5-(5-amino-1H-pyrazol-4-yl)-2,4-dihydroxybenzoic acid
PubChem CID117341582
Molecular FormulaC10H9N3O4
Molecular Weight235.20 g/mol
Exact Mass235.06
IUPAC Name5-(5-amino-1H-pyrazol-4-yl)-2,4-dihydroxybenzoic acid
SMILESNc1[nH]ncc1-c1cc(C(=O)O)c(O)cc1O
InChIInChI=1S/C10H9N3O4/c11-9-6(3-12-13-9)4-1-5(10(16)17)8(15)2-7(4)14/h1-3,14-15H,(H,16,17)(H3,11,12,13)
InChIKeyORGYIBWSOVDCKD-UHFFFAOYSA-N
XLogP0.77
TPSA132.46 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 50.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-1H-pyrazol-4-yl)-2,4-dihydroxybenzoic acid?
The IUPAC name of 5-(5-amino-1H-pyrazol-4-yl)-2,4-dihydroxybenzoic acid (CID 117341582) is 5-(5-amino-1H-pyrazol-4-yl)-2,4-dihydroxybenzoic acid.
What is the SMILES notation for 5-(5-amino-1H-pyrazol-4-yl)-2,4-dihydroxybenzoic acid?
The canonical SMILES for 5-(5-amino-1H-pyrazol-4-yl)-2,4-dihydroxybenzoic acid is Nc1[nH]ncc1-c1cc(C(=O)O)c(O)cc1O.
What is the InChIKey of 5-(5-amino-1H-pyrazol-4-yl)-2,4-dihydroxybenzoic acid?
The InChIKey is ORGYIBWSOVDCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4/c11-9-6(3-12-13-9)4-1-5(10(16)17)8(15)2-7(4)14/h1-3,14-15H,(H,16,17)(H3,11,12,13).
What are the key properties of 5-(5-amino-1H-pyrazol-4-yl)-2,4-dihydroxybenzoic acid?
5-(5-amino-1H-pyrazol-4-yl)-2,4-dihydroxybenzoic acid has a molecular weight of 235.20 g/mol, XLogP of 0.77, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-1H-pyrazol-4-yl)-2,4-dihydroxybenzoic acid is sourced from PubChem (CID 117341582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).