N-(4-carbamothioyl-1H-pyrazol-5-yl)-1H-pyrazole-5-carboxamide

C8H8N6OS — CID 79503790

IUPACN-(4-carbamothioyl-1H-pyrazol-5-yl)-1H-pyrazole-5-carboxamide
SMILESNC(=S)c1cn[nH]c1NC(=O)c1ccn[nH]1
InChIInChI=1S/C8H8N6OS/c9-6(16)4-3-11-14-7(4)12-8(15)5-1-2-10-13-5/h1-3H,(H2,9,16)(H,10,13)(H2,11,12,14,15)
InChIKeyUZHHHOGCHPXTTQ-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.02
Rot. Bonds3

About N-(4-carbamothioyl-1H-pyrazol-5-yl)-1H-pyrazole-5-carboxamide

N-(4-carbamothioyl-1H-pyrazol-5-yl)-1H-pyrazole-5-carboxamide (PubChem CID 79503790) has the molecular formula C8H8N6OS and a molecular weight of 236.26 g/mol. Its IUPAC name is N-(4-carbamothioyl-1H-pyrazol-5-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-1H-pyrazol-5-yl)-1H-pyrazole-5-carboxamide
PubChem CID79503790
Molecular FormulaC8H8N6OS
Molecular Weight236.26 g/mol
Exact Mass236.05
IUPAC NameN-(4-carbamothioyl-1H-pyrazol-5-yl)-1H-pyrazole-5-carboxamide
SMILESNC(=S)c1cn[nH]c1NC(=O)c1ccn[nH]1
InChIInChI=1S/C8H8N6OS/c9-6(16)4-3-11-14-7(4)12-8(15)5-1-2-10-13-5/h1-3H,(H2,9,16)(H,10,13)(H2,11,12,14,15)
InChIKeyUZHHHOGCHPXTTQ-UHFFFAOYSA-N
XLogP0.02
TPSA112.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.02
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-bromo-2-carbamothioylphenyl)-1H-pyrazole-5-carboxamide
CID 82704410
N-(4-carbamothioyl-1H-pyrazol-5-yl)-5-chloropyridine-2-carboxamide
CID 79503975
N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide
CID 79503318
N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-hydroxybenzamide
CID 79503125
N-(4-carbamothioyl-1H-pyrazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 114040825
N-(4-carbamothioyl-1H-pyrazol-5-yl)quinoline-5-carboxamide
CID 79497381
N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-fluoro-3-methylbenzamide
CID 81477714
N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-fluorobenzamide
CID 79504447
N-(4-carbamothioyl-1H-pyrazol-5-yl)-5-chloro-2-hydroxybenzamide
CID 79503598
N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-chloro-4-methylbenzamide
CID 106861315
3-bromo-N-(4-carbamothioyl-1H-pyrazol-5-yl)-5-methylbenzamide
CID 104851593
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)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-carbamothioyl-1H-pyrazol-5-yl)-1H-pyrazole-5-carboxamide (CID 79503790) is N-(4-carbamothioyl-1H-pyrazol-5-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-carbamothioyl-1H-pyrazol-5-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-carbamothioyl-1H-pyrazol-5-yl)-1H-pyrazole-5-carboxamide is NC(=S)c1cn[nH]c1NC(=O)c1ccn[nH]1.
What is the InChIKey of N-(4-carbamothioyl-1H-pyrazol-5-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is UZHHHOGCHPXTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6OS/c9-6(16)4-3-11-14-7(4)12-8(15)5-1-2-10-13-5/h1-3H,(H2,9,16)(H,10,13)(H2,11,12,14,15).
What are the key properties of N-(4-carbamothioyl-1H-pyrazol-5-yl)-1H-pyrazole-5-carboxamide?
N-(4-carbamothioyl-1H-pyrazol-5-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 236.26 g/mol, XLogP of 0.02, 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)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 79503790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).