5-(furan-2-yl)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole

C10H7F5N2O — CID 24865870

IUPAC5-(furan-2-yl)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole
SMILESCn1nc(C(F)(F)C(F)(F)F)cc1-c1ccco1
InChIInChI=1S/C10H7F5N2O/c1-17-6(7-3-2-4-18-7)5-8(16-17)9(11,12)10(13,14)15/h2-5H,1H3
InChIKeyNPERYBPZVKGXTO-UHFFFAOYSA-N
MW266.17 g/mol
LogP3.33
Rot. Bonds2

About 5-(furan-2-yl)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole

5-(furan-2-yl)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole (PubChem CID 24865870) has the molecular formula C10H7F5N2O and a molecular weight of 266.17 g/mol. Its IUPAC name is 5-(furan-2-yl)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole.

Molecular Properties

Compound Name5-(furan-2-yl)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole
PubChem CID24865870
Molecular FormulaC10H7F5N2O
Molecular Weight266.17 g/mol
Exact Mass266.05
IUPAC Name5-(furan-2-yl)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole
SMILESCn1nc(C(F)(F)C(F)(F)F)cc1-c1ccco1
InChIInChI=1S/C10H7F5N2O/c1-17-6(7-3-2-4-18-7)5-8(16-17)9(11,12)10(13,14)15/h2-5H,1H3
InChIKeyNPERYBPZVKGXTO-UHFFFAOYSA-N
XLogP3.33
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole?
The IUPAC name of 5-(furan-2-yl)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole (CID 24865870) is 5-(furan-2-yl)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole.
What is the SMILES notation for 5-(furan-2-yl)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole?
The canonical SMILES for 5-(furan-2-yl)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole is Cn1nc(C(F)(F)C(F)(F)F)cc1-c1ccco1.
What is the InChIKey of 5-(furan-2-yl)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole?
The InChIKey is NPERYBPZVKGXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5N2O/c1-17-6(7-3-2-4-18-7)5-8(16-17)9(11,12)10(13,14)15/h2-5H,1H3.
What are the key properties of 5-(furan-2-yl)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole?
5-(furan-2-yl)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole has a molecular weight of 266.17 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole is sourced from PubChem (CID 24865870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).