N-(4-carbamothioyl-1H-pyrazol-5-yl)oxolane-2-carboxamide

C9H12N4O2S — CID 79503597

IUPACN-(4-carbamothioyl-1H-pyrazol-5-yl)oxolane-2-carboxamide
SMILESNC(=S)c1cn[nH]c1NC(=O)C1CCCO1
InChIInChI=1S/C9H12N4O2S/c10-7(16)5-4-11-13-8(5)12-9(14)6-2-1-3-15-6/h4,6H,1-3H2,(H2,10,16)(H2,11,12,13,14)
InChIKeyVJJKFFFMJSGFDT-UHFFFAOYSA-N
MW240.29 g/mol
LogP0.16
Rot. Bonds3

About N-(4-carbamothioyl-1H-pyrazol-5-yl)oxolane-2-carboxamide

N-(4-carbamothioyl-1H-pyrazol-5-yl)oxolane-2-carboxamide (PubChem CID 79503597) has the molecular formula C9H12N4O2S and a molecular weight of 240.29 g/mol. Its IUPAC name is N-(4-carbamothioyl-1H-pyrazol-5-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-1H-pyrazol-5-yl)oxolane-2-carboxamide
PubChem CID79503597
Molecular FormulaC9H12N4O2S
Molecular Weight240.29 g/mol
Exact Mass240.07
IUPAC NameN-(4-carbamothioyl-1H-pyrazol-5-yl)oxolane-2-carboxamide
SMILESNC(=S)c1cn[nH]c1NC(=O)C1CCCO1
InChIInChI=1S/C9H12N4O2S/c10-7(16)5-4-11-13-8(5)12-9(14)6-2-1-3-15-6/h4,6H,1-3H2,(H2,10,16)(H2,11,12,13,14)
InChIKeyVJJKFFFMJSGFDT-UHFFFAOYSA-N
XLogP0.16
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 50.16
H-Bond Donors ≤ 53
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-1H-pyrazol-5-yl)-3,5-dimethyloxolane-2-carboxamide
CID 136545095
N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 113788282
N-(1H-pyrazol-5-yl)oxolane-2-carboxamide
CID 61393024
N-(4-cyano-1H-pyrazol-5-yl)oxolane-2-carboxamide
CID 78913770
N-(4-carbamothioyl-1-methylpyrazol-5-yl)oxolane-2-carboxamide
CID 79500150
N-(4-cyano-1H-pyrazol-5-yl)oxane-2-carboxamide
CID 79503180
N-(4-carbamothioyl-1H-pyrazol-5-yl)oxane-3-carboxamide
CID 79503216
N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-ethoxyacetamide
CID 79503220
N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,4-dioxane-2-carboxamide
CID 79503323
N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-methoxyacetamide
CID 79503602
N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-(oxolan-2-yl)acetamide
CID 79503797
N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-(oxolan-2-yl)propanamide
CID 79503888

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioyl-1H-pyrazol-5-yl)oxolane-2-carboxamide?
The IUPAC name of N-(4-carbamothioyl-1H-pyrazol-5-yl)oxolane-2-carboxamide (CID 79503597) is N-(4-carbamothioyl-1H-pyrazol-5-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(4-carbamothioyl-1H-pyrazol-5-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(4-carbamothioyl-1H-pyrazol-5-yl)oxolane-2-carboxamide is NC(=S)c1cn[nH]c1NC(=O)C1CCCO1.
What is the InChIKey of N-(4-carbamothioyl-1H-pyrazol-5-yl)oxolane-2-carboxamide?
The InChIKey is VJJKFFFMJSGFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S/c10-7(16)5-4-11-13-8(5)12-9(14)6-2-1-3-15-6/h4,6H,1-3H2,(H2,10,16)(H2,11,12,13,14).
What are the key properties of N-(4-carbamothioyl-1H-pyrazol-5-yl)oxolane-2-carboxamide?
N-(4-carbamothioyl-1H-pyrazol-5-yl)oxolane-2-carboxamide has a molecular weight of 240.29 g/mol, XLogP of 0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioyl-1H-pyrazol-5-yl)oxolane-2-carboxamide is sourced from PubChem (CID 79503597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).