(4-methoxy-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine

C13H14F3N3O — CID 105046851

IUPAC(4-methoxy-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine
SMILESCOc1cnn(C)c1C(N)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H14F3N3O/c1-19-12(10(20-2)7-18-19)11(17)8-5-3-4-6-9(8)13(14,15)16/h3-7,11H,17H2,1-2H3
InChIKeyHWGWIYYLWIRYBI-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.50
Rot. Bonds3

About (4-methoxy-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine

(4-methoxy-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 105046851) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is (4-methoxy-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(4-methoxy-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID105046851
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name(4-methoxy-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine
SMILESCOc1cnn(C)c1C(N)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H14F3N3O/c1-19-12(10(20-2)7-18-19)11(17)8-5-3-4-6-9(8)13(14,15)16/h3-7,11H,17H2,1-2H3
InChIKeyHWGWIYYLWIRYBI-UHFFFAOYSA-N
XLogP2.50
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (4-methoxy-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine (CID 105046851) is (4-methoxy-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (4-methoxy-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (4-methoxy-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine is COc1cnn(C)c1C(N)c1ccccc1C(F)(F)F.
What is the InChIKey of (4-methoxy-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is HWGWIYYLWIRYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-19-12(10(20-2)7-18-19)11(17)8-5-3-4-6-9(8)13(14,15)16/h3-7,11H,17H2,1-2H3.
What are the key properties of (4-methoxy-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine?
(4-methoxy-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 285.27 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 105046851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).