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

C11H9FN4OS — CID 79504447

IUPACN-(4-carbamothioyl-1H-pyrazol-5-yl)-3-fluorobenzamide
SMILESNC(=S)c1cn[nH]c1NC(=O)c1cccc(F)c1
InChIInChI=1S/C11H9FN4OS/c12-7-3-1-2-6(4-7)11(17)15-10-8(9(13)18)5-14-16-10/h1-5H,(H2,13,18)(H2,14,15,16,17)
InChIKeyVWQYNZZQUVZTEV-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.44
Rot. Bonds3

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

N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-fluorobenzamide (PubChem CID 79504447) has the molecular formula C11H9FN4OS and a molecular weight of 264.29 g/mol. Its IUPAC name is N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-1H-pyrazol-5-yl)-3-fluorobenzamide
PubChem CID79504447
Molecular FormulaC11H9FN4OS
Molecular Weight264.29 g/mol
Exact Mass264.05
IUPAC NameN-(4-carbamothioyl-1H-pyrazol-5-yl)-3-fluorobenzamide
SMILESNC(=S)c1cn[nH]c1NC(=O)c1cccc(F)c1
InChIInChI=1S/C11H9FN4OS/c12-7-3-1-2-6(4-7)11(17)15-10-8(9(13)18)5-14-16-10/h1-5H,(H2,13,18)(H2,14,15,16,17)
InChIKeyVWQYNZZQUVZTEV-UHFFFAOYSA-N
XLogP1.44
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-hydroxybenzamide
CID 79503125
N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-fluoro-3-methylbenzamide
CID 81477714
1-(4-carbamothioyl-1H-pyrazol-5-yl)-3-(4-fluorophenyl)urea
CID 79500492
N-(4-carbamothioyl-1H-pyrazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 114040825
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)-5-chloro-2-hydroxybenzamide
CID 79503598
N-(4-carbamothioyl-1H-pyrazol-5-yl)quinoline-5-carboxamide
CID 79497381
N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide
CID 79503318
N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-chloro-4-methylbenzamide
CID 106861315

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-fluorobenzamide?
The IUPAC name of N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-fluorobenzamide (CID 79504447) is N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-fluorobenzamide.
What is the SMILES notation for N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-fluorobenzamide?
The canonical SMILES for N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-fluorobenzamide is NC(=S)c1cn[nH]c1NC(=O)c1cccc(F)c1.
What is the InChIKey of N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-fluorobenzamide?
The InChIKey is VWQYNZZQUVZTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4OS/c12-7-3-1-2-6(4-7)11(17)15-10-8(9(13)18)5-14-16-10/h1-5H,(H2,13,18)(H2,14,15,16,17).
What are the key properties of N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-fluorobenzamide?
N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-fluorobenzamide has a molecular weight of 264.29 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-fluorobenzamide is sourced from PubChem (CID 79504447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).