2-methoxy-6-[4-(trifluoromethyl)pyrazol-1-yl]aniline

C11H10F3N3O — CID 113392793

IUPAC2-methoxy-6-[4-(trifluoromethyl)pyrazol-1-yl]aniline
SMILESCOc1cccc(-n2cc(C(F)(F)F)cn2)c1N
InChIInChI=1S/C11H10F3N3O/c1-18-9-4-2-3-8(10(9)15)17-6-7(5-16-17)11(12,13)14/h2-6H,15H2,1H3
InChIKeyKRNUKZNKQQQBFY-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.48
Rot. Bonds2

About 2-methoxy-6-[4-(trifluoromethyl)pyrazol-1-yl]aniline

2-methoxy-6-[4-(trifluoromethyl)pyrazol-1-yl]aniline (PubChem CID 113392793) has the molecular formula C11H10F3N3O and a molecular weight of 257.22 g/mol. Its IUPAC name is 2-methoxy-6-[4-(trifluoromethyl)pyrazol-1-yl]aniline.

Molecular Properties

Compound Name2-methoxy-6-[4-(trifluoromethyl)pyrazol-1-yl]aniline
PubChem CID113392793
Molecular FormulaC11H10F3N3O
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name2-methoxy-6-[4-(trifluoromethyl)pyrazol-1-yl]aniline
SMILESCOc1cccc(-n2cc(C(F)(F)F)cn2)c1N
InChIInChI=1S/C11H10F3N3O/c1-18-9-4-2-3-8(10(9)15)17-6-7(5-16-17)11(12,13)14/h2-6H,15H2,1H3
InChIKeyKRNUKZNKQQQBFY-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[4-(trifluoromethyl)pyrazol-1-yl]aniline?
The IUPAC name of 2-methoxy-6-[4-(trifluoromethyl)pyrazol-1-yl]aniline (CID 113392793) is 2-methoxy-6-[4-(trifluoromethyl)pyrazol-1-yl]aniline.
What is the SMILES notation for 2-methoxy-6-[4-(trifluoromethyl)pyrazol-1-yl]aniline?
The canonical SMILES for 2-methoxy-6-[4-(trifluoromethyl)pyrazol-1-yl]aniline is COc1cccc(-n2cc(C(F)(F)F)cn2)c1N.
What is the InChIKey of 2-methoxy-6-[4-(trifluoromethyl)pyrazol-1-yl]aniline?
The InChIKey is KRNUKZNKQQQBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-18-9-4-2-3-8(10(9)15)17-6-7(5-16-17)11(12,13)14/h2-6H,15H2,1H3.
What are the key properties of 2-methoxy-6-[4-(trifluoromethyl)pyrazol-1-yl]aniline?
2-methoxy-6-[4-(trifluoromethyl)pyrazol-1-yl]aniline 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 2-methoxy-6-[4-(trifluoromethyl)pyrazol-1-yl]aniline is sourced from PubChem (CID 113392793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).