N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-hydroxybenzamide

C11H10N4O2S — CID 79503125

IUPACN-(4-carbamothioyl-1H-pyrazol-5-yl)-3-hydroxybenzamide
SMILESNC(=S)c1cn[nH]c1NC(=O)c1cccc(O)c1
InChIInChI=1S/C11H10N4O2S/c12-9(18)8-5-13-15-10(8)14-11(17)6-2-1-3-7(16)4-6/h1-5,16H,(H2,12,18)(H2,13,14,15,17)
InChIKeyQOGDLQWOMIPPEM-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.00
Rot. Bonds3

About N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-hydroxybenzamide

N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-hydroxybenzamide (PubChem CID 79503125) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-hydroxybenzamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-1H-pyrazol-5-yl)-3-hydroxybenzamide
PubChem CID79503125
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC NameN-(4-carbamothioyl-1H-pyrazol-5-yl)-3-hydroxybenzamide
SMILESNC(=S)c1cn[nH]c1NC(=O)c1cccc(O)c1
InChIInChI=1S/C11H10N4O2S/c12-9(18)8-5-13-15-10(8)14-11(17)6-2-1-3-7(16)4-6/h1-5,16H,(H2,12,18)(H2,13,14,15,17)
InChIKeyQOGDLQWOMIPPEM-UHFFFAOYSA-N
XLogP1.00
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-fluorobenzamide
CID 79504447
N-(4-carbamothioyl-1H-pyrazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 114040825
N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-fluoro-3-methylbenzamide
CID 81477714
N-(4-carbamothioyl-1H-pyrazol-5-yl)-5-chloro-2-hydroxybenzamide
CID 79503598
N-(4-carbamothioyl-1H-pyrazol-5-yl)-1H-pyrazole-5-carboxamide
CID 79503790
3-bromo-N-(4-carbamothioyl-1H-pyrazol-5-yl)-5-methylbenzamide
CID 104851593
5-[(3-chlorobenzoyl)amino]-1H-pyrazole-4-carboxylic acid
CID 110483619
N-(4-carbamothioyl-1H-pyrazol-5-yl)-5-chloropyridine-2-carboxamide
CID 79503975
N-(4-carbamothioyl-1H-pyrazol-5-yl)quinoline-5-carboxamide
CID 79497381
3-[(3-hydroxybenzoyl)amino]benzamide
CID 103605136
N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide
CID 79503318
1-(4-carbamothioyl-1H-pyrazol-5-yl)-3-(4-fluorophenyl)urea
CID 79500492

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-hydroxybenzamide?
The IUPAC name of N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-hydroxybenzamide (CID 79503125) is N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-hydroxybenzamide.
What is the SMILES notation for N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-hydroxybenzamide?
The canonical SMILES for N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-hydroxybenzamide is NC(=S)c1cn[nH]c1NC(=O)c1cccc(O)c1.
What is the InChIKey of N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-hydroxybenzamide?
The InChIKey is QOGDLQWOMIPPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S/c12-9(18)8-5-13-15-10(8)14-11(17)6-2-1-3-7(16)4-6/h1-5,16H,(H2,12,18)(H2,13,14,15,17).
What are the key properties of N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-hydroxybenzamide?
N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-hydroxybenzamide has a molecular weight of 262.29 g/mol, XLogP of 1.00, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-hydroxybenzamide is sourced from PubChem (CID 79503125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).