N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroxybenzamide

C12H13N3O3 — CID 114343847

IUPACN-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroxybenzamide
SMILESCc1cc(NC(=O)c2cccc(O)c2O)n(C)n1
InChIInChI=1S/C12H13N3O3/c1-7-6-10(15(2)14-7)13-12(18)8-4-3-5-9(16)11(8)17/h3-6,16-17H,1-2H3,(H,13,18)
InChIKeyXLAJIFSMRRGFTJ-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.39
Rot. Bonds2

About N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroxybenzamide

N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroxybenzamide (PubChem CID 114343847) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroxybenzamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroxybenzamide
PubChem CID114343847
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroxybenzamide
SMILESCc1cc(NC(=O)c2cccc(O)c2O)n(C)n1
InChIInChI=1S/C12H13N3O3/c1-7-6-10(15(2)14-7)13-12(18)8-4-3-5-9(16)11(8)17/h3-6,16-17H,1-2H3,(H,13,18)
InChIKeyXLAJIFSMRRGFTJ-UHFFFAOYSA-N
XLogP1.39
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoate
CID 6930153
N-(2,5-dimethylpyrazol-3-yl)-2,3-difluorobenzamide
CID 62650484
2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 3741602
N-(2,5-dimethylpyrazol-3-yl)-2,3-dimethoxybenzamide
CID 35291192
3-N,4-N-bis(2,5-dimethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide
CID 29097892
2,5-dichloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 45284555
3-amino-N-(2,5-dimethylpyrazol-3-yl)naphthalene-2-carboxamide
CID 61209522
N-(2,5-dimethylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557935
2-bromo-N-(2,5-dimethylpyrazol-3-yl)-5-methylbenzamide
CID 80974367
3-(chloromethyl)-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 43156305
N-(2,5-dimethylpyrazol-3-yl)-5-methyl-2-(methylamino)benzamide
CID 55083084
N-(2,5-dimethylpyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 110470794

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroxybenzamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroxybenzamide (CID 114343847) is N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroxybenzamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroxybenzamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroxybenzamide is Cc1cc(NC(=O)c2cccc(O)c2O)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroxybenzamide?
The InChIKey is XLAJIFSMRRGFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-7-6-10(15(2)14-7)13-12(18)8-4-3-5-9(16)11(8)17/h3-6,16-17H,1-2H3,(H,13,18).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroxybenzamide?
N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroxybenzamide has a molecular weight of 247.25 g/mol, XLogP of 1.39, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroxybenzamide is sourced from PubChem (CID 114343847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).