1-(4-ethyl-2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-amine

C12H11F4N3 — CID 156675371

IUPAC1-(4-ethyl-2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESCCc1ccc(-n2nc(C(F)(F)F)cc2N)c(F)c1
InChIInChI=1S/C12H11F4N3/c1-2-7-3-4-9(8(13)5-7)19-11(17)6-10(18-19)12(14,15)16/h3-6H,2,17H2,1H3
InChIKeyXJYHLONGLCEXAO-UHFFFAOYSA-N
MW273.23 g/mol
LogP3.17
Rot. Bonds2

About 1-(4-ethyl-2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-amine

1-(4-ethyl-2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 156675371) has the molecular formula C12H11F4N3 and a molecular weight of 273.23 g/mol. Its IUPAC name is 1-(4-ethyl-2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(4-ethyl-2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID156675371
Molecular FormulaC12H11F4N3
Molecular Weight273.23 g/mol
Exact Mass273.09
IUPAC Name1-(4-ethyl-2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESCCc1ccc(-n2nc(C(F)(F)F)cc2N)c(F)c1
InChIInChI=1S/C12H11F4N3/c1-2-7-3-4-9(8(13)5-7)19-11(17)6-10(18-19)12(14,15)16/h3-6H,2,17H2,1H3
InChIKeyXJYHLONGLCEXAO-UHFFFAOYSA-N
XLogP3.17
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.23
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 1-(4-ethyl-2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-amine (CID 156675371) is 1-(4-ethyl-2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 1-(4-ethyl-2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 1-(4-ethyl-2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-amine is CCc1ccc(-n2nc(C(F)(F)F)cc2N)c(F)c1.
What is the InChIKey of 1-(4-ethyl-2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is XJYHLONGLCEXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4N3/c1-2-7-3-4-9(8(13)5-7)19-11(17)6-10(18-19)12(14,15)16/h3-6H,2,17H2,1H3.
What are the key properties of 1-(4-ethyl-2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-amine?
1-(4-ethyl-2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 273.23 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 156675371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).