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

C13H14F3N3O — CID 117216063

IUPAC1-ethyl-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine
SMILESCCn1nc(COc2ccc(C(F)(F)F)cc2)cc1N
InChIInChI=1S/C13H14F3N3O/c1-2-19-12(17)7-10(18-19)8-20-11-5-3-9(4-6-11)13(14,15)16/h3-7H,2,8,17H2,1H3
InChIKeyXRUIHUOIMVWINB-UHFFFAOYSA-N
MW285.27 g/mol
LogP3.08
Rot. Bonds4

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

1-ethyl-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine (PubChem CID 117216063) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 1-ethyl-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine.

Molecular Properties

Compound Name1-ethyl-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine
PubChem CID117216063
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name1-ethyl-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine
SMILESCCn1nc(COc2ccc(C(F)(F)F)cc2)cc1N
InChIInChI=1S/C13H14F3N3O/c1-2-19-12(17)7-10(18-19)8-20-11-5-3-9(4-6-11)13(14,15)16/h3-7H,2,8,17H2,1H3
InChIKeyXRUIHUOIMVWINB-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-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine
CID 117216049
4-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methoxy]pyridine
CID 154403788
1-ethyl-3-(pyridin-3-yloxymethyl)pyrazol-5-amine
CID 117216077
3-[(4-fluorophenoxy)methyl]-1-methylpyrazol-5-amine
CID 82079978
1-ethyl-3-(trifluoromethyl)pyrazol-5-amine
CID 19623304
1-methyl-4-[[4-(trifluoromethyl)phenoxy]methyl]imidazole-2-carboxylic acid
CID 117191700
1-butoxy-4-(trifluoromethyl)benzene
CID 16731800
1-(methoxymethoxy)-4-(trifluoromethyl)benzene
CID 11009076
1-tert-butyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 171509643
1-propan-2-yl-2-[[4-(trifluoromethyl)phenoxy]methyl]imidazol-4-amine
CID 117187724
1-propan-2-yl-5-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-4-amine
CID 117217975
1-ethyl-2-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 171509620

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine?
The IUPAC name of 1-ethyl-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine (CID 117216063) is 1-ethyl-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine.
What is the SMILES notation for 1-ethyl-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine?
The canonical SMILES for 1-ethyl-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine is CCn1nc(COc2ccc(C(F)(F)F)cc2)cc1N.
What is the InChIKey of 1-ethyl-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine?
The InChIKey is XRUIHUOIMVWINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-2-19-12(17)7-10(18-19)8-20-11-5-3-9(4-6-11)13(14,15)16/h3-7H,2,8,17H2,1H3.
What are the key properties of 1-ethyl-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine?
1-ethyl-3-[[4-(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-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine is sourced from PubChem (CID 117216063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).