3-phenyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine

C11H10F3N3 — CID 56965647

IUPAC3-phenyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESNc1cc(-c2ccccc2)nn1CC(F)(F)F
InChIInChI=1S/C11H10F3N3/c12-11(13,14)7-17-10(15)6-9(16-17)8-4-2-1-3-5-8/h1-6H,7,15H2
InChIKeyGRUVVUBNDUYJAU-UHFFFAOYSA-N
MW241.22 g/mol
LogP2.69
Rot. Bonds2

About 3-phenyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine

3-phenyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine (PubChem CID 56965647) has the molecular formula C11H10F3N3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 3-phenyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-phenyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine
PubChem CID56965647
Molecular FormulaC11H10F3N3
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name3-phenyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESNc1cc(-c2ccccc2)nn1CC(F)(F)F
InChIInChI=1S/C11H10F3N3/c12-11(13,14)7-17-10(15)6-9(16-17)8-4-2-1-3-5-8/h1-6H,7,15H2
InChIKeyGRUVVUBNDUYJAU-UHFFFAOYSA-N
XLogP2.69
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The IUPAC name of 3-phenyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine (CID 56965647) is 3-phenyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine.
What is the SMILES notation for 3-phenyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The canonical SMILES for 3-phenyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine is Nc1cc(-c2ccccc2)nn1CC(F)(F)F.
What is the InChIKey of 3-phenyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The InChIKey is GRUVVUBNDUYJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3/c12-11(13,14)7-17-10(15)6-9(16-17)8-4-2-1-3-5-8/h1-6H,7,15H2.
What are the key properties of 3-phenyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine?
3-phenyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine has a molecular weight of 241.22 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine is sourced from PubChem (CID 56965647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).