2-(oxolan-3-yl)-5-propyl-1H-pyrazole-3-thione

C10H16N2OS — CID 130570235

IUPAC2-(oxolan-3-yl)-5-propyl-1H-pyrazole-3-thione
SMILESCCCc1cc(=S)n(C2CCOC2)[nH]1
InChIInChI=1S/C10H16N2OS/c1-2-3-8-6-10(14)12(11-8)9-4-5-13-7-9/h6,9,11H,2-5,7H2,1H3
InChIKeyOYYGXOPHYABSJU-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.46
Rot. Bonds3

About 2-(oxolan-3-yl)-5-propyl-1H-pyrazole-3-thione

2-(oxolan-3-yl)-5-propyl-1H-pyrazole-3-thione (PubChem CID 130570235) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-5-propyl-1H-pyrazole-3-thione.

Molecular Properties

Compound Name2-(oxolan-3-yl)-5-propyl-1H-pyrazole-3-thione
PubChem CID130570235
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-(oxolan-3-yl)-5-propyl-1H-pyrazole-3-thione
SMILESCCCc1cc(=S)n(C2CCOC2)[nH]1
InChIInChI=1S/C10H16N2OS/c1-2-3-8-6-10(14)12(11-8)9-4-5-13-7-9/h6,9,11H,2-5,7H2,1H3
InChIKeyOYYGXOPHYABSJU-UHFFFAOYSA-N
XLogP2.46
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(oxan-3-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475199
2-(oxolan-3-yl)-5-propyl-1,2,4-triazol-3-amine
CID 130570243
2-butyl-5-propyl-1H-pyrazole-3-thione
CID 62409281
5-(oxan-4-yl)-2-propyl-1H-pyrazole-3-thione
CID 165489265
1-[(3R)-oxolan-3-yl]-4-(4-propylphenyl)sulfonylpiperazine
CID 97098948
4-amino-5-methyl-2-(oxolan-3-yl)-1H-pyrazol-3-one
CID 130570292
5-propyl-2-pyridin-4-yl-1H-pyrazole-3-thione
CID 62410790
5-(aminomethyl)-2-(oxan-4-yl)-1H-pyrazol-3-one
CID 83880109
1-(oxolan-3-yl)piperazine-2,5-dione
CID 64873450
4-(oxolan-3-yl)-1H-1,2,4-triazole-5-thione
CID 80713989
2-(2,4-dimethylphenyl)-5-propyl-1H-pyrazole-3-thione
CID 63490091
2-[2-(oxan-4-yl)-3-oxo-1H-pyrazol-5-yl]acetaldehyde
CID 83884958

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-5-propyl-1H-pyrazole-3-thione?
The IUPAC name of 2-(oxolan-3-yl)-5-propyl-1H-pyrazole-3-thione (CID 130570235) is 2-(oxolan-3-yl)-5-propyl-1H-pyrazole-3-thione.
What is the SMILES notation for 2-(oxolan-3-yl)-5-propyl-1H-pyrazole-3-thione?
The canonical SMILES for 2-(oxolan-3-yl)-5-propyl-1H-pyrazole-3-thione is CCCc1cc(=S)n(C2CCOC2)[nH]1.
What is the InChIKey of 2-(oxolan-3-yl)-5-propyl-1H-pyrazole-3-thione?
The InChIKey is OYYGXOPHYABSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-2-3-8-6-10(14)12(11-8)9-4-5-13-7-9/h6,9,11H,2-5,7H2,1H3.
What are the key properties of 2-(oxolan-3-yl)-5-propyl-1H-pyrazole-3-thione?
2-(oxolan-3-yl)-5-propyl-1H-pyrazole-3-thione has a molecular weight of 212.32 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-5-propyl-1H-pyrazole-3-thione is sourced from PubChem (CID 130570235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).