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

C13H14F3N3O — CID 66012691

IUPAC1-ethyl-3-methyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-amine
SMILESCCn1nc(C)c(N)c1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H14F3N3O/c1-3-19-12(11(17)8(2)18-19)20-10-6-4-5-9(7-10)13(14,15)16/h4-7H,3,17H2,1-2H3
InChIKeyRCTGNHOYIMARCH-UHFFFAOYSA-N
MW285.27 g/mol
LogP3.60
Rot. Bonds3

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

1-ethyl-3-methyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-amine (PubChem CID 66012691) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 1-ethyl-3-methyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-3-methyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-amine
PubChem CID66012691
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name1-ethyl-3-methyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-amine
SMILESCCn1nc(C)c(N)c1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H14F3N3O/c1-3-19-12(11(17)8(2)18-19)20-10-6-4-5-9(7-10)13(14,15)16/h4-7H,3,17H2,1-2H3
InChIKeyRCTGNHOYIMARCH-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-amine?
The IUPAC name of 1-ethyl-3-methyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-amine (CID 66012691) is 1-ethyl-3-methyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-3-methyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-amine?
The canonical SMILES for 1-ethyl-3-methyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-amine is CCn1nc(C)c(N)c1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-ethyl-3-methyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-amine?
The InChIKey is RCTGNHOYIMARCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-3-19-12(11(17)8(2)18-19)20-10-6-4-5-9(7-10)13(14,15)16/h4-7H,3,17H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-amine?
1-ethyl-3-methyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-amine has a molecular weight of 285.27 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-amine is sourced from PubChem (CID 66012691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).