N-(4-carbamothioyl-1H-pyrazol-5-yl)-2,4,5-trimethyloxolane-3-carboxamide

C12H18N4O2S — CID 79504155

IUPACN-(4-carbamothioyl-1H-pyrazol-5-yl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)Nc2[nH]ncc2C(N)=S)C1C
InChIInChI=1S/C12H18N4O2S/c1-5-6(2)18-7(3)9(5)12(17)15-11-8(10(13)19)4-14-16-11/h4-7,9H,1-3H3,(H2,13,19)(H2,14,15,16,17)
InChIKeyRIDLXCURLWBZFU-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.04
Rot. Bonds3

About N-(4-carbamothioyl-1H-pyrazol-5-yl)-2,4,5-trimethyloxolane-3-carboxamide

N-(4-carbamothioyl-1H-pyrazol-5-yl)-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 79504155) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(4-carbamothioyl-1H-pyrazol-5-yl)-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-1H-pyrazol-5-yl)-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID79504155
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC NameN-(4-carbamothioyl-1H-pyrazol-5-yl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)Nc2[nH]ncc2C(N)=S)C1C
InChIInChI=1S/C12H18N4O2S/c1-5-6(2)18-7(3)9(5)12(17)15-11-8(10(13)19)4-14-16-11/h4-7,9H,1-3H3,(H2,13,19)(H2,14,15,16,17)
InChIKeyRIDLXCURLWBZFU-UHFFFAOYSA-N
XLogP1.04
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-carbamothioyl-1H-pyrazol-5-yl)-2,4,5-trimethyloxolane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioyl-1H-pyrazol-5-yl)-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-(4-carbamothioyl-1H-pyrazol-5-yl)-2,4,5-trimethyloxolane-3-carboxamide (CID 79504155) is N-(4-carbamothioyl-1H-pyrazol-5-yl)-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-(4-carbamothioyl-1H-pyrazol-5-yl)-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-(4-carbamothioyl-1H-pyrazol-5-yl)-2,4,5-trimethyloxolane-3-carboxamide is CC1OC(C)C(C(=O)Nc2[nH]ncc2C(N)=S)C1C.
What is the InChIKey of N-(4-carbamothioyl-1H-pyrazol-5-yl)-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is RIDLXCURLWBZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-5-6(2)18-7(3)9(5)12(17)15-11-8(10(13)19)4-14-16-11/h4-7,9H,1-3H3,(H2,13,19)(H2,14,15,16,17).
What are the key properties of N-(4-carbamothioyl-1H-pyrazol-5-yl)-2,4,5-trimethyloxolane-3-carboxamide?
N-(4-carbamothioyl-1H-pyrazol-5-yl)-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 282.37 g/mol, XLogP of 1.04, 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)-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 79504155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).