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

C11H10F3N3O — CID 19616528

IUPAC1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-4-amine
SMILESNc1cnn(COc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)8-2-1-3-10(4-8)18-7-17-6-9(15)5-16-17/h1-6H,7,15H2
InChIKeyRFDOOPWKQYQPLF-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.52
Rot. Bonds3

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

1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-4-amine (PubChem CID 19616528) has the molecular formula C11H10F3N3O and a molecular weight of 257.22 g/mol. Its IUPAC name is 1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-4-amine
PubChem CID19616528
Molecular FormulaC11H10F3N3O
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-4-amine
SMILESNc1cnn(COc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)8-2-1-3-10(4-8)18-7-17-6-9(15)5-16-17/h1-6H,7,15H2
InChIKeyRFDOOPWKQYQPLF-UHFFFAOYSA-N
XLogP2.52
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-4-amine?
The IUPAC name of 1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-4-amine (CID 19616528) is 1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-4-amine?
The canonical SMILES for 1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-4-amine is Nc1cnn(COc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-4-amine?
The InChIKey is RFDOOPWKQYQPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c12-11(13,14)8-2-1-3-10(4-8)18-7-17-6-9(15)5-16-17/h1-6H,7,15H2.
What are the key properties of 1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-4-amine?
1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-4-amine has a molecular weight of 257.22 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-4-amine is sourced from PubChem (CID 19616528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).