N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-(oxolan-2-yl)propanamide

C11H16N4O2S — CID 79503888

IUPACN-(4-carbamothioyl-1H-pyrazol-5-yl)-3-(oxolan-2-yl)propanamide
SMILESNC(=S)c1cn[nH]c1NC(=O)CCC1CCCO1
InChIInChI=1S/C11H16N4O2S/c12-10(18)8-6-13-15-11(8)14-9(16)4-3-7-2-1-5-17-7/h6-7H,1-5H2,(H2,12,18)(H2,13,14,15,16)
InChIKeyBCFIUGVHSPWWEY-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.94
Rot. Bonds5

About N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-(oxolan-2-yl)propanamide

N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-(oxolan-2-yl)propanamide (PubChem CID 79503888) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-1H-pyrazol-5-yl)-3-(oxolan-2-yl)propanamide
PubChem CID79503888
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC NameN-(4-carbamothioyl-1H-pyrazol-5-yl)-3-(oxolan-2-yl)propanamide
SMILESNC(=S)c1cn[nH]c1NC(=O)CCC1CCCO1
InChIInChI=1S/C11H16N4O2S/c12-10(18)8-6-13-15-11(8)14-9(16)4-3-7-2-1-5-17-7/h6-7H,1-5H2,(H2,12,18)(H2,13,14,15,16)
InChIKeyBCFIUGVHSPWWEY-UHFFFAOYSA-N
XLogP0.94
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.94
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)-3-(oxolan-2-yl)propanamide 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)-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-(oxolan-2-yl)propanamide (CID 79503888) is N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-(oxolan-2-yl)propanamide is NC(=S)c1cn[nH]c1NC(=O)CCC1CCCO1.
What is the InChIKey of N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-(oxolan-2-yl)propanamide?
The InChIKey is BCFIUGVHSPWWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c12-10(18)8-6-13-15-11(8)14-9(16)4-3-7-2-1-5-17-7/h6-7H,1-5H2,(H2,12,18)(H2,13,14,15,16).
What are the key properties of N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-(oxolan-2-yl)propanamide?
N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-(oxolan-2-yl)propanamide has a molecular weight of 268.34 g/mol, XLogP of 0.94, 5 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)-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 79503888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).