5-propyl-2-pyridin-4-yl-1H-pyrazole-3-thione

C11H13N3S — CID 62410790

IUPAC5-propyl-2-pyridin-4-yl-1H-pyrazole-3-thione
SMILESCCCc1cc(=S)n(-c2ccncc2)[nH]1
InChIInChI=1S/C11H13N3S/c1-2-3-9-8-11(15)14(13-9)10-4-6-12-7-5-10/h4-8,13H,2-3H2,1H3
InChIKeyDRUJWZPQLHVLCK-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.88
Rot. Bonds3

About 5-propyl-2-pyridin-4-yl-1H-pyrazole-3-thione

5-propyl-2-pyridin-4-yl-1H-pyrazole-3-thione (PubChem CID 62410790) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 5-propyl-2-pyridin-4-yl-1H-pyrazole-3-thione.

Molecular Properties

Compound Name5-propyl-2-pyridin-4-yl-1H-pyrazole-3-thione
PubChem CID62410790
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name5-propyl-2-pyridin-4-yl-1H-pyrazole-3-thione
SMILESCCCc1cc(=S)n(-c2ccncc2)[nH]1
InChIInChI=1S/C11H13N3S/c1-2-3-9-8-11(15)14(13-9)10-4-6-12-7-5-10/h4-8,13H,2-3H2,1H3
InChIKeyDRUJWZPQLHVLCK-UHFFFAOYSA-N
XLogP2.88
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.88
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-(2,4-dimethylphenyl)-5-propyl-1H-pyrazole-3-thione
CID 63490091
2-butyl-5-propyl-1H-pyrazole-3-thione
CID 62409281
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-propyl-1H-pyrazole-3-thione
CID 62410027
4-(5-methyl-3-propylpyrazol-1-yl)pyridine
CID 130460673
4-(5-propyl-1H-pyrrol-3-yl)pyridine
CID 91212718
5-propyl-2-pyrazin-2-yl-1H-pyrazol-3-one
CID 81042193
5-ethyl-2-(1,3-thiazol-2-yl)-1H-pyrazole-3-thione
CID 82881200
5-propyl-2-(1,3-thiazol-2-yl)-1H-pyrazol-3-one
CID 82879641
ethyl 2-(5-methyl-3-oxo-2-pyridin-4-yl-1H-pyrazol-4-yl)acetate
CID 125452080
6-propyl-1H-pyrimidine-2-thione
CID 12858767
5-ethyl-2-(2-fluorophenyl)-1H-pyrazole-3-thione
CID 62409831
2-(oxolan-3-yl)-5-propyl-1H-pyrazole-3-thione
CID 130570235

Frequently Asked Questions

What is the IUPAC name of 5-propyl-2-pyridin-4-yl-1H-pyrazole-3-thione?
The IUPAC name of 5-propyl-2-pyridin-4-yl-1H-pyrazole-3-thione (CID 62410790) is 5-propyl-2-pyridin-4-yl-1H-pyrazole-3-thione.
What is the SMILES notation for 5-propyl-2-pyridin-4-yl-1H-pyrazole-3-thione?
The canonical SMILES for 5-propyl-2-pyridin-4-yl-1H-pyrazole-3-thione is CCCc1cc(=S)n(-c2ccncc2)[nH]1.
What is the InChIKey of 5-propyl-2-pyridin-4-yl-1H-pyrazole-3-thione?
The InChIKey is DRUJWZPQLHVLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-2-3-9-8-11(15)14(13-9)10-4-6-12-7-5-10/h4-8,13H,2-3H2,1H3.
What are the key properties of 5-propyl-2-pyridin-4-yl-1H-pyrazole-3-thione?
5-propyl-2-pyridin-4-yl-1H-pyrazole-3-thione has a molecular weight of 219.31 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-2-pyridin-4-yl-1H-pyrazole-3-thione is sourced from PubChem (CID 62410790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).