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

C10H14N4O2S — CID 79503797

IUPACN-(4-carbamothioyl-1H-pyrazol-5-yl)-2-(oxolan-2-yl)acetamide
SMILESNC(=S)c1cn[nH]c1NC(=O)CC1CCCO1
InChIInChI=1S/C10H14N4O2S/c11-9(17)7-5-12-14-10(7)13-8(15)4-6-2-1-3-16-6/h5-6H,1-4H2,(H2,11,17)(H2,12,13,14,15)
InChIKeyDIQNNBFFXIDLAS-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.55
Rot. Bonds4

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

N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-(oxolan-2-yl)acetamide (PubChem CID 79503797) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-1H-pyrazol-5-yl)-2-(oxolan-2-yl)acetamide
PubChem CID79503797
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC NameN-(4-carbamothioyl-1H-pyrazol-5-yl)-2-(oxolan-2-yl)acetamide
SMILESNC(=S)c1cn[nH]c1NC(=O)CC1CCCO1
InChIInChI=1S/C10H14N4O2S/c11-9(17)7-5-12-14-10(7)13-8(15)4-6-2-1-3-16-6/h5-6H,1-4H2,(H2,11,17)(H2,12,13,14,15)
InChIKeyDIQNNBFFXIDLAS-UHFFFAOYSA-N
XLogP0.55
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.55
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-carbamothioyl-1H-pyrazol-5-yl)-3-(2,2-difluoroethoxy)propanamide
CID 103208461
N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103208462
2-(oxolan-2-yl)-N-(1H-pyrazol-5-yl)acetamide
CID 62045609
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-2-(oxolan-2-yl)acetamide
CID 79500057
N-(4-carbamothioyl-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 79503212
N-(4-carbamothioyl-1H-pyrazol-5-yl)oxane-3-carboxamide
CID 79503216
N-(4-carbamothioyl-1H-pyrazol-5-yl)hexanamide
CID 79503314
N-(4-carbamothioyl-1H-pyrazol-5-yl)oxolane-2-carboxamide
CID 79503597
N-(4-carbamothioyl-1H-pyrazol-5-yl)oxolane-3-carboxamide
CID 79503600
N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-ethoxypropanamide
CID 79503696
N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-methoxypropanamide
CID 79503697
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)-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-(oxolan-2-yl)acetamide (CID 79503797) is N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-(oxolan-2-yl)acetamide is NC(=S)c1cn[nH]c1NC(=O)CC1CCCO1.
What is the InChIKey of N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-(oxolan-2-yl)acetamide?
The InChIKey is DIQNNBFFXIDLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c11-9(17)7-5-12-14-10(7)13-8(15)4-6-2-1-3-16-6/h5-6H,1-4H2,(H2,11,17)(H2,12,13,14,15).
What are the key properties of N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-(oxolan-2-yl)acetamide?
N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-(oxolan-2-yl)acetamide has a molecular weight of 254.31 g/mol, XLogP of 0.55, 4 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-(oxolan-2-yl)acetamide is sourced from PubChem (CID 79503797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).