4-ethyl-N,1-dimethyl-N-(methyldiazenyl)-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-amine

C10H14F5N5 — CID 123214339

IUPAC4-ethyl-N,1-dimethyl-N-(methyldiazenyl)-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-amine
SMILESCCc1c(C(F)(F)C(F)(F)F)nn(C)c1N(C)/N=N/C
InChIInChI=1S/C10H14F5N5/c1-5-6-7(9(11,12)10(13,14)15)17-19(3)8(6)20(4)18-16-2/h5H2,1-4H3/b18-16+
InChIKeyWIGWNJRHMYXIQW-FBMGVBCBSA-N
MW299.25 g/mol
LogP3.07
Rot. Bonds4

About 4-ethyl-N,1-dimethyl-N-(methyldiazenyl)-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-amine

4-ethyl-N,1-dimethyl-N-(methyldiazenyl)-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-amine (PubChem CID 123214339) has the molecular formula C10H14F5N5 and a molecular weight of 299.25 g/mol. Its IUPAC name is 4-ethyl-N,1-dimethyl-N-(methyldiazenyl)-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-ethyl-N,1-dimethyl-N-(methyldiazenyl)-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-amine
PubChem CID123214339
Molecular FormulaC10H14F5N5
Molecular Weight299.25 g/mol
Exact Mass299.12
IUPAC Name4-ethyl-N,1-dimethyl-N-(methyldiazenyl)-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-amine
SMILESCCc1c(C(F)(F)C(F)(F)F)nn(C)c1N(C)/N=N/C
InChIInChI=1S/C10H14F5N5/c1-5-6-7(9(11,12)10(13,14)15)17-19(3)8(6)20(4)18-16-2/h5H2,1-4H3/b18-16+
InChIKeyWIGWNJRHMYXIQW-FBMGVBCBSA-N
XLogP3.07
TPSA45.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N,1-dimethyl-N-(methyldiazenyl)-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-amine?
The IUPAC name of 4-ethyl-N,1-dimethyl-N-(methyldiazenyl)-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-amine (CID 123214339) is 4-ethyl-N,1-dimethyl-N-(methyldiazenyl)-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-amine.
What is the SMILES notation for 4-ethyl-N,1-dimethyl-N-(methyldiazenyl)-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-amine?
The canonical SMILES for 4-ethyl-N,1-dimethyl-N-(methyldiazenyl)-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-amine is CCc1c(C(F)(F)C(F)(F)F)nn(C)c1N(C)/N=N/C.
What is the InChIKey of 4-ethyl-N,1-dimethyl-N-(methyldiazenyl)-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-amine?
The InChIKey is WIGWNJRHMYXIQW-FBMGVBCBSA-N. The full InChI is InChI=1S/C10H14F5N5/c1-5-6-7(9(11,12)10(13,14)15)17-19(3)8(6)20(4)18-16-2/h5H2,1-4H3/b18-16+.
What are the key properties of 4-ethyl-N,1-dimethyl-N-(methyldiazenyl)-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-amine?
4-ethyl-N,1-dimethyl-N-(methyldiazenyl)-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-amine has a molecular weight of 299.25 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N,1-dimethyl-N-(methyldiazenyl)-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-amine is sourced from PubChem (CID 123214339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).