5-(3-chloropyrazol-1-yl)-3-ethylsulfanyl-2-(2,2,3,3,3-pentafluoropropyl)pyridine

C13H11ClF5N3S — CID 175211632

IUPAC5-(3-chloropyrazol-1-yl)-3-ethylsulfanyl-2-(2,2,3,3,3-pentafluoropropyl)pyridine
SMILESCCSc1cc(-n2ccc(Cl)n2)cnc1CC(F)(F)C(F)(F)F
InChIInChI=1S/C13H11ClF5N3S/c1-2-23-10-5-8(22-4-3-11(14)21-22)7-20-9(10)6-12(15,16)13(17,18)19/h3-5,7H,2,6H2,1H3
InChIKeyNZQLAEQKAWCEPI-UHFFFAOYSA-N
MW371.76 g/mol
LogP4.77
Rot. Bonds5

About 5-(3-chloropyrazol-1-yl)-3-ethylsulfanyl-2-(2,2,3,3,3-pentafluoropropyl)pyridine

5-(3-chloropyrazol-1-yl)-3-ethylsulfanyl-2-(2,2,3,3,3-pentafluoropropyl)pyridine (PubChem CID 175211632) has the molecular formula C13H11ClF5N3S and a molecular weight of 371.76 g/mol. Its IUPAC name is 5-(3-chloropyrazol-1-yl)-3-ethylsulfanyl-2-(2,2,3,3,3-pentafluoropropyl)pyridine.

Molecular Properties

Compound Name5-(3-chloropyrazol-1-yl)-3-ethylsulfanyl-2-(2,2,3,3,3-pentafluoropropyl)pyridine
PubChem CID175211632
Molecular FormulaC13H11ClF5N3S
Molecular Weight371.76 g/mol
Exact Mass371.03
IUPAC Name5-(3-chloropyrazol-1-yl)-3-ethylsulfanyl-2-(2,2,3,3,3-pentafluoropropyl)pyridine
SMILESCCSc1cc(-n2ccc(Cl)n2)cnc1CC(F)(F)C(F)(F)F
InChIInChI=1S/C13H11ClF5N3S/c1-2-23-10-5-8(22-4-3-11(14)21-22)7-20-9(10)6-12(15,16)13(17,18)19/h3-5,7H,2,6H2,1H3
InChIKeyNZQLAEQKAWCEPI-UHFFFAOYSA-N
XLogP4.77
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.76
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-Chlorophenyl)sulfanyl-1-(4-fluorophenyl)pyrazol-3-yl]-5-methylpyrazine
CID 58302344
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CID 67613240
ethyl 1-methyl-N-pyridin-3-yl-3-(trifluoromethyl)pyrazole-4-carboximidothioate
CID 68403377
2-[4-Chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine
CID 70967647
2-[4-Chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine
CID 70967648
2-Chloro-5-({3-[(Z)-1-fluoro-2-{4-[(trifluoromethyl)sulphanyl]phenyl}vinyl]-5-methyl-1H-pyrazol-1-yl}methyl)pyridine
CID 86686587
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[2-(trifluoromethyl)pyridin-4-yl]sulfanylpropanamide
CID 89879129
S-(3,3,3-trifluoropropyl) N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate
CID 89879327
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfanyl)propanethioamide
CID 89881490
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanethioamide
CID 89884650
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanethioamide
CID 89884656
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(1,1,3,3-tetrafluoroprop-2-enylsulfanyl)propanethioamide
CID 90307183

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloropyrazol-1-yl)-3-ethylsulfanyl-2-(2,2,3,3,3-pentafluoropropyl)pyridine?
The IUPAC name of 5-(3-chloropyrazol-1-yl)-3-ethylsulfanyl-2-(2,2,3,3,3-pentafluoropropyl)pyridine (CID 175211632) is 5-(3-chloropyrazol-1-yl)-3-ethylsulfanyl-2-(2,2,3,3,3-pentafluoropropyl)pyridine.
What is the SMILES notation for 5-(3-chloropyrazol-1-yl)-3-ethylsulfanyl-2-(2,2,3,3,3-pentafluoropropyl)pyridine?
The canonical SMILES for 5-(3-chloropyrazol-1-yl)-3-ethylsulfanyl-2-(2,2,3,3,3-pentafluoropropyl)pyridine is CCSc1cc(-n2ccc(Cl)n2)cnc1CC(F)(F)C(F)(F)F.
What is the InChIKey of 5-(3-chloropyrazol-1-yl)-3-ethylsulfanyl-2-(2,2,3,3,3-pentafluoropropyl)pyridine?
The InChIKey is NZQLAEQKAWCEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF5N3S/c1-2-23-10-5-8(22-4-3-11(14)21-22)7-20-9(10)6-12(15,16)13(17,18)19/h3-5,7H,2,6H2,1H3.
What are the key properties of 5-(3-chloropyrazol-1-yl)-3-ethylsulfanyl-2-(2,2,3,3,3-pentafluoropropyl)pyridine?
5-(3-chloropyrazol-1-yl)-3-ethylsulfanyl-2-(2,2,3,3,3-pentafluoropropyl)pyridine has a molecular weight of 371.76 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloropyrazol-1-yl)-3-ethylsulfanyl-2-(2,2,3,3,3-pentafluoropropyl)pyridine is sourced from PubChem (CID 175211632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).