2-hydroxy-4-(2-pyrazol-1-ylpropanoylamino)benzoic acid

C13H13N3O4 — CID 43211185

IUPAC2-hydroxy-4-(2-pyrazol-1-ylpropanoylamino)benzoic acid
SMILESCC(C(=O)Nc1ccc(C(=O)O)c(O)c1)n1cccn1
InChIInChI=1S/C13H13N3O4/c1-8(16-6-2-5-14-16)12(18)15-9-3-4-10(13(19)20)11(17)7-9/h2-8,17H,1H3,(H,15,18)(H,19,20)
InChIKeyXNDUAKUZBFVTHZ-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.49
Rot. Bonds4

About 2-hydroxy-4-(2-pyrazol-1-ylpropanoylamino)benzoic acid

2-hydroxy-4-(2-pyrazol-1-ylpropanoylamino)benzoic acid (PubChem CID 43211185) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-hydroxy-4-(2-pyrazol-1-ylpropanoylamino)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-(2-pyrazol-1-ylpropanoylamino)benzoic acid
PubChem CID43211185
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name2-hydroxy-4-(2-pyrazol-1-ylpropanoylamino)benzoic acid
SMILESCC(C(=O)Nc1ccc(C(=O)O)c(O)c1)n1cccn1
InChIInChI=1S/C13H13N3O4/c1-8(16-6-2-5-14-16)12(18)15-9-3-4-10(13(19)20)11(17)7-9/h2-8,17H,1H3,(H,15,18)(H,19,20)
InChIKeyXNDUAKUZBFVTHZ-UHFFFAOYSA-N
XLogP1.49
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
N-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380
N-(4-methylphenyl)-2-pyrazol-1-ylpropanamide
CID 134060372
2-pyrazol-1-yl-N-(3-sulfamoylphenyl)propanamide
CID 61067736
N-(4-cyanophenyl)-2-pyrazol-1-ylpropanamide
CID 43187532
5-methyl-2-(2-pyrazol-1-ylpropanoylamino)thiophene-3-carboxylic acid
CID 55248956
3-chloro-2-(2-pyrazol-1-ylpropanoylamino)benzoic acid
CID 107047376
2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42958661
N-(4-methyl-3-nitrophenyl)-2-pyrazol-1-ylpropanamide
CID 47156473
N-(6-amino-3-pyridinyl)-2-pyrazol-1-ylpropanamide
CID 55130465
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrazol-1-ylpropanamide
CID 134048457
5-acetamido-2-fluoro-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 60567572

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(2-pyrazol-1-ylpropanoylamino)benzoic acid?
The IUPAC name of 2-hydroxy-4-(2-pyrazol-1-ylpropanoylamino)benzoic acid (CID 43211185) is 2-hydroxy-4-(2-pyrazol-1-ylpropanoylamino)benzoic acid.
What is the SMILES notation for 2-hydroxy-4-(2-pyrazol-1-ylpropanoylamino)benzoic acid?
The canonical SMILES for 2-hydroxy-4-(2-pyrazol-1-ylpropanoylamino)benzoic acid is CC(C(=O)Nc1ccc(C(=O)O)c(O)c1)n1cccn1.
What is the InChIKey of 2-hydroxy-4-(2-pyrazol-1-ylpropanoylamino)benzoic acid?
The InChIKey is XNDUAKUZBFVTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-8(16-6-2-5-14-16)12(18)15-9-3-4-10(13(19)20)11(17)7-9/h2-8,17H,1H3,(H,15,18)(H,19,20).
What are the key properties of 2-hydroxy-4-(2-pyrazol-1-ylpropanoylamino)benzoic acid?
2-hydroxy-4-(2-pyrazol-1-ylpropanoylamino)benzoic acid has a molecular weight of 275.26 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(2-pyrazol-1-ylpropanoylamino)benzoic acid is sourced from PubChem (CID 43211185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).