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

C9H12N4O2S — CID 79503600

IUPACN-(4-carbamothioyl-1H-pyrazol-5-yl)oxolane-3-carboxamide
SMILESNC(=S)c1cn[nH]c1NC(=O)C1CCOC1
InChIInChI=1S/C9H12N4O2S/c10-7(16)6-3-11-13-8(6)12-9(14)5-1-2-15-4-5/h3,5H,1-2,4H2,(H2,10,16)(H2,11,12,13,14)
InChIKeyBROIKISLOWIVAN-UHFFFAOYSA-N
MW240.29 g/mol
LogP0.02
Rot. Bonds3

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

N-(4-carbamothioyl-1H-pyrazol-5-yl)oxolane-3-carboxamide (PubChem CID 79503600) 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-3-carboxamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-1H-pyrazol-5-yl)oxolane-3-carboxamide
PubChem CID79503600
Molecular FormulaC9H12N4O2S
Molecular Weight240.29 g/mol
Exact Mass240.07
IUPAC NameN-(4-carbamothioyl-1H-pyrazol-5-yl)oxolane-3-carboxamide
SMILESNC(=S)c1cn[nH]c1NC(=O)C1CCOC1
InChIInChI=1S/C9H12N4O2S/c10-7(16)6-3-11-13-8(6)12-9(14)5-1-2-15-4-5/h3,5H,1-2,4H2,(H2,10,16)(H2,11,12,13,14)
InChIKeyBROIKISLOWIVAN-UHFFFAOYSA-N
XLogP0.02
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 ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioyl-1H-pyrazol-5-yl)oxolane-3-carboxamide?
The IUPAC name of N-(4-carbamothioyl-1H-pyrazol-5-yl)oxolane-3-carboxamide (CID 79503600) is N-(4-carbamothioyl-1H-pyrazol-5-yl)oxolane-3-carboxamide.
What is the SMILES notation for N-(4-carbamothioyl-1H-pyrazol-5-yl)oxolane-3-carboxamide?
The canonical SMILES for N-(4-carbamothioyl-1H-pyrazol-5-yl)oxolane-3-carboxamide is NC(=S)c1cn[nH]c1NC(=O)C1CCOC1.
What is the InChIKey of N-(4-carbamothioyl-1H-pyrazol-5-yl)oxolane-3-carboxamide?
The InChIKey is BROIKISLOWIVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S/c10-7(16)6-3-11-13-8(6)12-9(14)5-1-2-15-4-5/h3,5H,1-2,4H2,(H2,10,16)(H2,11,12,13,14).
What are the key properties of N-(4-carbamothioyl-1H-pyrazol-5-yl)oxolane-3-carboxamide?
N-(4-carbamothioyl-1H-pyrazol-5-yl)oxolane-3-carboxamide has a molecular weight of 240.29 g/mol, XLogP of 0.02, 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-3-carboxamide is sourced from PubChem (CID 79503600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).