3-ethyl-1-methyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-4-amine

C13H14F3N3O — CID 66014265

IUPAC3-ethyl-1-methyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-4-amine
SMILESCCc1nn(C)c(Oc2ccc(C(F)(F)F)cc2)c1N
InChIInChI=1S/C13H14F3N3O/c1-3-10-11(17)12(19(2)18-10)20-9-6-4-8(5-7-9)13(14,15)16/h4-7H,3,17H2,1-2H3
InChIKeyMOIJXDBFWLFWAY-UHFFFAOYSA-N
MW285.27 g/mol
LogP3.38
Rot. Bonds3

About 3-ethyl-1-methyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-4-amine

3-ethyl-1-methyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-4-amine (PubChem CID 66014265) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 3-ethyl-1-methyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-4-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-4-amine
PubChem CID66014265
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name3-ethyl-1-methyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-4-amine
SMILESCCc1nn(C)c(Oc2ccc(C(F)(F)F)cc2)c1N
InChIInChI=1S/C13H14F3N3O/c1-3-10-11(17)12(19(2)18-10)20-9-6-4-8(5-7-9)13(14,15)16/h4-7H,3,17H2,1-2H3
InChIKeyMOIJXDBFWLFWAY-UHFFFAOYSA-N
XLogP3.38
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-4-amine?
The IUPAC name of 3-ethyl-1-methyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-4-amine (CID 66014265) is 3-ethyl-1-methyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-4-amine.
What is the SMILES notation for 3-ethyl-1-methyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-4-amine?
The canonical SMILES for 3-ethyl-1-methyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-4-amine is CCc1nn(C)c(Oc2ccc(C(F)(F)F)cc2)c1N.
What is the InChIKey of 3-ethyl-1-methyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-4-amine?
The InChIKey is MOIJXDBFWLFWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-3-10-11(17)12(19(2)18-10)20-9-6-4-8(5-7-9)13(14,15)16/h4-7H,3,17H2,1-2H3.
What are the key properties of 3-ethyl-1-methyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-4-amine?
3-ethyl-1-methyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-4-amine has a molecular weight of 285.27 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-4-amine is sourced from PubChem (CID 66014265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).