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

C13H14F3N3O — CID 117216049

IUPAC1-ethyl-3-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine
SMILESCCn1nc(COc2cccc(C(F)(F)F)c2)cc1N
InChIInChI=1S/C13H14F3N3O/c1-2-19-12(17)7-10(18-19)8-20-11-5-3-4-9(6-11)13(14,15)16/h3-7H,2,8,17H2,1H3
InChIKeyYOHIWKFKIUJVSZ-UHFFFAOYSA-N
MW285.27 g/mol
LogP3.08
Rot. Bonds4

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

1-ethyl-3-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine (PubChem CID 117216049) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 1-ethyl-3-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine.

Molecular Properties

Compound Name1-ethyl-3-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine
PubChem CID117216049
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name1-ethyl-3-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine
SMILESCCn1nc(COc2cccc(C(F)(F)F)c2)cc1N
InChIInChI=1S/C13H14F3N3O/c1-2-19-12(17)7-10(18-19)8-20-11-5-3-4-9(6-11)13(14,15)16/h3-7H,2,8,17H2,1H3
InChIKeyYOHIWKFKIUJVSZ-UHFFFAOYSA-N
XLogP3.08
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine
CID 117216063
1-ethyl-3-(pyridin-3-yloxymethyl)pyrazol-5-amine
CID 117216077
[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine
CID 106907819
1-methyl-3-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-5-carboxylic acid
CID 117215965
2-[[3-(trifluoromethyl)phenoxy]methyl]imidazo[1,2-a]pyridine
CID 117255739
5-[[3-(trifluoromethyl)phenoxy]methyl]-2H-triazol-4-amine
CID 117214169
N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-4-amine
CID 79251088
5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-imidazol-2-amine
CID 117191481
3-[(3-ethylphenoxy)methyl]-1-methylpyrazol-5-amine
CID 82082157
4-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methoxy]pyridine
CID 154403788
1,5-dimethyl-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole
CID 117188379
4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-5-amine
CID 117216211

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine?
The IUPAC name of 1-ethyl-3-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine (CID 117216049) is 1-ethyl-3-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine.
What is the SMILES notation for 1-ethyl-3-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine?
The canonical SMILES for 1-ethyl-3-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine is CCn1nc(COc2cccc(C(F)(F)F)c2)cc1N.
What is the InChIKey of 1-ethyl-3-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine?
The InChIKey is YOHIWKFKIUJVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-2-19-12(17)7-10(18-19)8-20-11-5-3-4-9(6-11)13(14,15)16/h3-7H,2,8,17H2,1H3.
What are the key properties of 1-ethyl-3-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine?
1-ethyl-3-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine has a molecular weight of 285.27 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine is sourced from PubChem (CID 117216049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).