N-(1-ethylpyrazol-3-yl)-2,3-dihydroxybenzamide

C12H13N3O3 — CID 114251339

IUPACN-(1-ethylpyrazol-3-yl)-2,3-dihydroxybenzamide
SMILESCCn1ccc(NC(=O)c2cccc(O)c2O)n1
InChIInChI=1S/C12H13N3O3/c1-2-15-7-6-10(14-15)13-12(18)8-4-3-5-9(16)11(8)17/h3-7,16-17H,2H2,1H3,(H,13,14,18)
InChIKeyGNNOXHLOUCAKKA-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.57
Rot. Bonds3

About N-(1-ethylpyrazol-3-yl)-2,3-dihydroxybenzamide

N-(1-ethylpyrazol-3-yl)-2,3-dihydroxybenzamide (PubChem CID 114251339) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is N-(1-ethylpyrazol-3-yl)-2,3-dihydroxybenzamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-3-yl)-2,3-dihydroxybenzamide
PubChem CID114251339
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC NameN-(1-ethylpyrazol-3-yl)-2,3-dihydroxybenzamide
SMILESCCn1ccc(NC(=O)c2cccc(O)c2O)n1
InChIInChI=1S/C12H13N3O3/c1-2-15-7-6-10(14-15)13-12(18)8-4-3-5-9(16)11(8)17/h3-7,16-17H,2H2,1H3,(H,13,14,18)
InChIKeyGNNOXHLOUCAKKA-UHFFFAOYSA-N
XLogP1.57
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.57
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

3-amino-N-(1-ethylpyrazol-3-yl)-2-methylbenzamide
CID 114251301
3-N,4-N-bis(1-ethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide
CID 29097735
N-(1-ethylpyrazol-3-yl)pyridine-2-carboxamide
CID 35286531
2,6-dichloro-N-(1-ethylpyrazol-3-yl)pyridine-4-carboxamide
CID 114251518
5-amino-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-4-carboxamide
CID 114252333
2-chloro-N-(1-ethylpyrazol-3-yl)-4,5-difluorobenzamide
CID 35286238
N-(1-ethylpyrazol-3-yl)pyridine-3-carboxamide
CID 35286222
N-(1-ethylpyrazol-3-yl)-4-(methylamino)benzamide
CID 114252349
5-chloro-N-(1-ethylpyrazol-3-yl)-2-methoxybenzamide
CID 35286166
N-(5-bromo-6-methyl-2-pyridinyl)-2,3-dihydroxybenzamide
CID 114343707
8-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]naphthalene-1-carboxamide
CID 167841166
N-[4,6-bis[(2,3-dihydroxybenzoyl)amino]-1,3,5-triazin-2-yl]-2,3-dihydroxybenzamide
CID 164848329

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-3-yl)-2,3-dihydroxybenzamide?
The IUPAC name of N-(1-ethylpyrazol-3-yl)-2,3-dihydroxybenzamide (CID 114251339) is N-(1-ethylpyrazol-3-yl)-2,3-dihydroxybenzamide.
What is the SMILES notation for N-(1-ethylpyrazol-3-yl)-2,3-dihydroxybenzamide?
The canonical SMILES for N-(1-ethylpyrazol-3-yl)-2,3-dihydroxybenzamide is CCn1ccc(NC(=O)c2cccc(O)c2O)n1.
What is the InChIKey of N-(1-ethylpyrazol-3-yl)-2,3-dihydroxybenzamide?
The InChIKey is GNNOXHLOUCAKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-2-15-7-6-10(14-15)13-12(18)8-4-3-5-9(16)11(8)17/h3-7,16-17H,2H2,1H3,(H,13,14,18).
What are the key properties of N-(1-ethylpyrazol-3-yl)-2,3-dihydroxybenzamide?
N-(1-ethylpyrazol-3-yl)-2,3-dihydroxybenzamide has a molecular weight of 247.25 g/mol, XLogP of 1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-3-yl)-2,3-dihydroxybenzamide is sourced from PubChem (CID 114251339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).