1-(4-carbamothioyl-1H-pyrazol-5-yl)-3-(4-fluorophenyl)urea

C11H10FN5OS — CID 79500492

IUPAC1-(4-carbamothioyl-1H-pyrazol-5-yl)-3-(4-fluorophenyl)urea
SMILESNC(=S)c1cn[nH]c1NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H10FN5OS/c12-6-1-3-7(4-2-6)15-11(18)16-10-8(9(13)19)5-14-17-10/h1-5H,(H2,13,19)(H3,14,15,16,17,18)
InChIKeyBSWVHSBGXHHVRR-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.83
Rot. Bonds3

About 1-(4-carbamothioyl-1H-pyrazol-5-yl)-3-(4-fluorophenyl)urea

1-(4-carbamothioyl-1H-pyrazol-5-yl)-3-(4-fluorophenyl)urea (PubChem CID 79500492) has the molecular formula C11H10FN5OS and a molecular weight of 279.30 g/mol. Its IUPAC name is 1-(4-carbamothioyl-1H-pyrazol-5-yl)-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-(4-carbamothioyl-1H-pyrazol-5-yl)-3-(4-fluorophenyl)urea
PubChem CID79500492
Molecular FormulaC11H10FN5OS
Molecular Weight279.30 g/mol
Exact Mass279.06
IUPAC Name1-(4-carbamothioyl-1H-pyrazol-5-yl)-3-(4-fluorophenyl)urea
SMILESNC(=S)c1cn[nH]c1NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H10FN5OS/c12-6-1-3-7(4-2-6)15-11(18)16-10-8(9(13)19)5-14-17-10/h1-5H,(H2,13,19)(H3,14,15,16,17,18)
InChIKeyBSWVHSBGXHHVRR-UHFFFAOYSA-N
XLogP1.83
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-(4-fluorophenyl)urea
CID 79504585
N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-fluorobenzamide
CID 79504447
1-(4-carbamothioyl-1H-pyrazol-5-yl)-3-propylurea
CID 79500493
N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-fluoro-3-methylbenzamide
CID 81477714
N-(4-carbamothioyl-1H-pyrazol-5-yl)-1H-pyrazole-5-carboxamide
CID 79503790
N-(4-carbamothioyl-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 79503212
N-(4-carbamothioyl-1H-pyrazol-5-yl)-5-chloropyridine-2-carboxamide
CID 79503975
N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 60757361
N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-methylbutanamide
CID 79504345
N-(4-carbamothioyl-1H-pyrazol-5-yl)cyclooctanecarboxamide
CID 79504062
N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide
CID 79503318
N-(4-carbamothioyl-1H-pyrazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 114040825

Frequently Asked Questions

What is the IUPAC name of 1-(4-carbamothioyl-1H-pyrazol-5-yl)-3-(4-fluorophenyl)urea?
The IUPAC name of 1-(4-carbamothioyl-1H-pyrazol-5-yl)-3-(4-fluorophenyl)urea (CID 79500492) is 1-(4-carbamothioyl-1H-pyrazol-5-yl)-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-(4-carbamothioyl-1H-pyrazol-5-yl)-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-(4-carbamothioyl-1H-pyrazol-5-yl)-3-(4-fluorophenyl)urea is NC(=S)c1cn[nH]c1NC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-carbamothioyl-1H-pyrazol-5-yl)-3-(4-fluorophenyl)urea?
The InChIKey is BSWVHSBGXHHVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN5OS/c12-6-1-3-7(4-2-6)15-11(18)16-10-8(9(13)19)5-14-17-10/h1-5H,(H2,13,19)(H3,14,15,16,17,18).
What are the key properties of 1-(4-carbamothioyl-1H-pyrazol-5-yl)-3-(4-fluorophenyl)urea?
1-(4-carbamothioyl-1H-pyrazol-5-yl)-3-(4-fluorophenyl)urea has a molecular weight of 279.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carbamothioyl-1H-pyrazol-5-yl)-3-(4-fluorophenyl)urea is sourced from PubChem (CID 79500492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).