3,4-dihydroxy-N-(1H-pyrazol-5-yl)benzamide

C10H9N3O3 — CID 103956763

IUPAC3,4-dihydroxy-N-(1H-pyrazol-5-yl)benzamide
SMILESO=C(Nc1ccn[nH]1)c1ccc(O)c(O)c1
InChIInChI=1S/C10H9N3O3/c14-7-2-1-6(5-8(7)15)10(16)12-9-3-4-11-13-9/h1-5,14-15H,(H2,11,12,13,16)
InChIKeyWMYRRVUHXUGADL-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.07
Rot. Bonds2

About 3,4-dihydroxy-N-(1H-pyrazol-5-yl)benzamide

3,4-dihydroxy-N-(1H-pyrazol-5-yl)benzamide (PubChem CID 103956763) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 3,4-dihydroxy-N-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name3,4-dihydroxy-N-(1H-pyrazol-5-yl)benzamide
PubChem CID103956763
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name3,4-dihydroxy-N-(1H-pyrazol-5-yl)benzamide
SMILESO=C(Nc1ccn[nH]1)c1ccc(O)c(O)c1
InChIInChI=1S/C10H9N3O3/c14-7-2-1-6(5-8(7)15)10(16)12-9-3-4-11-13-9/h1-5,14-15H,(H2,11,12,13,16)
InChIKeyWMYRRVUHXUGADL-UHFFFAOYSA-N
XLogP1.07
TPSA98.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.07
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

N-(1H-pyrazol-5-yl)naphthalene-2-carboxamide
CID 61393106
2-N-hydroxy-7-N-(1H-pyrazol-5-yl)naphthalene-2,7-dicarboxamide
CID 25256604
2-hydroxy-5-iodo-N-(1H-pyrazol-5-yl)benzamide
CID 103710669
4-N-(1H-pyrazol-5-yl)benzene-1,4-dicarboxamide
CID 61393914
N-(1H-pyrazol-5-yl)benzamide
CID 23298723
4-(chloromethyl)-N-(1H-pyrazol-5-yl)benzamide
CID 61394435
N-(1H-pyrazol-5-yl)-1,3-benzothiazole-5-carboxamide
CID 39834270
4-fluoro-2-hydroxy-N-(1H-pyrazol-5-yl)benzamide
CID 103829854
3-oxo-N-(1H-pyrazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide
CID 61393673
3-methylsulfonyl-N-(1H-pyrazol-5-yl)benzamide
CID 60580034
4-[(dimethylamino)methyl]-N-(1H-pyrazol-5-yl)benzamide
CID 61393919
3-bromo-5-fluoro-N-(1H-pyrazol-5-yl)benzamide
CID 61393796

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-N-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of 3,4-dihydroxy-N-(1H-pyrazol-5-yl)benzamide (CID 103956763) is 3,4-dihydroxy-N-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 3,4-dihydroxy-N-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 3,4-dihydroxy-N-(1H-pyrazol-5-yl)benzamide is O=C(Nc1ccn[nH]1)c1ccc(O)c(O)c1.
What is the InChIKey of 3,4-dihydroxy-N-(1H-pyrazol-5-yl)benzamide?
The InChIKey is WMYRRVUHXUGADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c14-7-2-1-6(5-8(7)15)10(16)12-9-3-4-11-13-9/h1-5,14-15H,(H2,11,12,13,16).
What are the key properties of 3,4-dihydroxy-N-(1H-pyrazol-5-yl)benzamide?
3,4-dihydroxy-N-(1H-pyrazol-5-yl)benzamide has a molecular weight of 219.20 g/mol, XLogP of 1.07, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-N-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 103956763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).