2,3-dihydroxy-N-(1H-pyrazol-5-ylmethyl)benzamide

C11H11N3O3 — CID 114344962

IUPAC2,3-dihydroxy-N-(1H-pyrazol-5-ylmethyl)benzamide
SMILESO=C(NCc1ccn[nH]1)c1cccc(O)c1O
InChIInChI=1S/C11H11N3O3/c15-9-3-1-2-8(10(9)16)11(17)12-6-7-4-5-13-14-7/h1-5,15-16H,6H2,(H,12,17)(H,13,14)
InChIKeyWGXALKKRVQJZOH-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.75
Rot. Bonds3

About 2,3-dihydroxy-N-(1H-pyrazol-5-ylmethyl)benzamide

2,3-dihydroxy-N-(1H-pyrazol-5-ylmethyl)benzamide (PubChem CID 114344962) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2,3-dihydroxy-N-(1H-pyrazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-(1H-pyrazol-5-ylmethyl)benzamide
PubChem CID114344962
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name2,3-dihydroxy-N-(1H-pyrazol-5-ylmethyl)benzamide
SMILESO=C(NCc1ccn[nH]1)c1cccc(O)c1O
InChIInChI=1S/C11H11N3O3/c15-9-3-1-2-8(10(9)16)11(17)12-6-7-4-5-13-14-7/h1-5,15-16H,6H2,(H,12,17)(H,13,14)
InChIKeyWGXALKKRVQJZOH-UHFFFAOYSA-N
XLogP0.75
TPSA98.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

2,6-dihydroxy-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 113346790
1-hydroxy-N-(1H-pyrazol-5-ylmethyl)naphthalene-2-carboxamide
CID 60975854
2-amino-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 61285252
N-(1H-pyrazol-5-ylmethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 61283355
2-(2,6-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 71683363
4-methyl-N-(1H-pyrazol-5-ylmethyl)thiophene-3-carboxamide
CID 79777719
2-methyl-N-(1H-pyrazol-5-ylmethyl)furan-3-carboxamide
CID 47285848
2,3,5-triiodo-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 63404576
N-(1H-pyrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide
CID 60975279
4-iodo-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 47204233
3-oxo-3-(1H-pyrazol-5-ylmethylamino)propanoic acid
CID 62232296
2-(3-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 62500320

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-(1H-pyrazol-5-ylmethyl)benzamide?
The IUPAC name of 2,3-dihydroxy-N-(1H-pyrazol-5-ylmethyl)benzamide (CID 114344962) is 2,3-dihydroxy-N-(1H-pyrazol-5-ylmethyl)benzamide.
What is the SMILES notation for 2,3-dihydroxy-N-(1H-pyrazol-5-ylmethyl)benzamide?
The canonical SMILES for 2,3-dihydroxy-N-(1H-pyrazol-5-ylmethyl)benzamide is O=C(NCc1ccn[nH]1)c1cccc(O)c1O.
What is the InChIKey of 2,3-dihydroxy-N-(1H-pyrazol-5-ylmethyl)benzamide?
The InChIKey is WGXALKKRVQJZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c15-9-3-1-2-8(10(9)16)11(17)12-6-7-4-5-13-14-7/h1-5,15-16H,6H2,(H,12,17)(H,13,14).
What are the key properties of 2,3-dihydroxy-N-(1H-pyrazol-5-ylmethyl)benzamide?
2,3-dihydroxy-N-(1H-pyrazol-5-ylmethyl)benzamide has a molecular weight of 233.23 g/mol, XLogP of 0.75, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-(1H-pyrazol-5-ylmethyl)benzamide is sourced from PubChem (CID 114344962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).