1-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-amine

C11H10F3N3O — CID 82089165

IUPAC1-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESCOc1ccccc1-n1nc(C(F)(F)F)cc1N
InChIInChI=1S/C11H10F3N3O/c1-18-8-5-3-2-4-7(8)17-10(15)6-9(16-17)11(12,13)14/h2-6H,15H2,1H3
InChIKeyKEZTVNGZUIIZQA-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.48
Rot. Bonds2

About 1-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-amine

1-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 82089165) has the molecular formula C11H10F3N3O and a molecular weight of 257.22 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID82089165
Molecular FormulaC11H10F3N3O
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name1-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESCOc1ccccc1-n1nc(C(F)(F)F)cc1N
InChIInChI=1S/C11H10F3N3O/c1-18-8-5-3-2-4-7(8)17-10(15)6-9(16-17)11(12,13)14/h2-6H,15H2,1H3
InChIKeyKEZTVNGZUIIZQA-UHFFFAOYSA-N
XLogP2.48
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 1-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-amine (CID 82089165) is 1-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-amine is COc1ccccc1-n1nc(C(F)(F)F)cc1N.
What is the InChIKey of 1-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is KEZTVNGZUIIZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-18-8-5-3-2-4-7(8)17-10(15)6-9(16-17)11(12,13)14/h2-6H,15H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-amine?
1-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 257.22 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 82089165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).