1-(1-methylpyrazol-4-yl)-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine

C11H18F3N3O — CID 66274767

IUPAC1-(1-methylpyrazol-4-yl)-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine
SMILESCCC(N)C(OC(C)C(F)(F)F)c1cnn(C)c1
InChIInChI=1S/C11H18F3N3O/c1-4-9(15)10(8-5-16-17(3)6-8)18-7(2)11(12,13)14/h5-7,9-10H,4,15H2,1-3H3
InChIKeyAFEHTOOGTFXJJW-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.17
Rot. Bonds5

About 1-(1-methylpyrazol-4-yl)-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine

1-(1-methylpyrazol-4-yl)-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine (PubChem CID 66274767) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine
PubChem CID66274767
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name1-(1-methylpyrazol-4-yl)-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine
SMILESCCC(N)C(OC(C)C(F)(F)F)c1cnn(C)c1
InChIInChI=1S/C11H18F3N3O/c1-4-9(15)10(8-5-16-17(3)6-8)18-7(2)11(12,13)14/h5-7,9-10H,4,15H2,1-3H3
InChIKeyAFEHTOOGTFXJJW-UHFFFAOYSA-N
XLogP2.17
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine (CID 66274767) is 1-(1-methylpyrazol-4-yl)-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine is CCC(N)C(OC(C)C(F)(F)F)c1cnn(C)c1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine?
The InChIKey is AFEHTOOGTFXJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-4-9(15)10(8-5-16-17(3)6-8)18-7(2)11(12,13)14/h5-7,9-10H,4,15H2,1-3H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine?
1-(1-methylpyrazol-4-yl)-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine has a molecular weight of 265.28 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine is sourced from PubChem (CID 66274767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).