1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-4-amine

C6H6F5N3 — CID 122516589

IUPAC1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-4-amine
SMILESCn1cc(N)c(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C6H6F5N3/c1-14-2-3(12)4(13-14)5(7,8)6(9,10)11/h2H,12H2,1H3
InChIKeyXUYDUEYNVIIJDH-UHFFFAOYSA-N
MW215.12 g/mol
LogP1.66
Rot. Bonds1

About 1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-4-amine

1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-4-amine (PubChem CID 122516589) has the molecular formula C6H6F5N3 and a molecular weight of 215.12 g/mol. Its IUPAC name is 1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-4-amine
PubChem CID122516589
Molecular FormulaC6H6F5N3
Molecular Weight215.12 g/mol
Exact Mass215.05
IUPAC Name1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-4-amine
SMILESCn1cc(N)c(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C6H6F5N3/c1-14-2-3(12)4(13-14)5(7,8)6(9,10)11/h2H,12H2,1H3
InChIKeyXUYDUEYNVIIJDH-UHFFFAOYSA-N
XLogP1.66
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.12
LogP ≤ 51.66
H-Bond Donors ≤ 51
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 1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-4-amine?
The IUPAC name of 1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-4-amine (CID 122516589) is 1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-4-amine.
What is the SMILES notation for 1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-4-amine?
The canonical SMILES for 1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-4-amine is Cn1cc(N)c(C(F)(F)C(F)(F)F)n1.
What is the InChIKey of 1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-4-amine?
The InChIKey is XUYDUEYNVIIJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F5N3/c1-14-2-3(12)4(13-14)5(7,8)6(9,10)11/h2H,12H2,1H3.
What are the key properties of 1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-4-amine?
1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-4-amine has a molecular weight of 215.12 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-4-amine is sourced from PubChem (CID 122516589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).