1,1,1-trifluoro-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-ol

C11H18F3N3O — CID 103778742

IUPAC1,1,1-trifluoro-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-ol
SMILESCc1nn(C)c(C)c1C(C)NCC(O)C(F)(F)F
InChIInChI=1S/C11H18F3N3O/c1-6(15-5-9(18)11(12,13)14)10-7(2)16-17(4)8(10)3/h6,9,15,18H,5H2,1-4H3
InChIKeyFCLHCFDVKKTLJR-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.61
Rot. Bonds4

About 1,1,1-trifluoro-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-ol

1,1,1-trifluoro-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-ol (PubChem CID 103778742) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-ol
PubChem CID103778742
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name1,1,1-trifluoro-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-ol
SMILESCc1nn(C)c(C)c1C(C)NCC(O)C(F)(F)F
InChIInChI=1S/C11H18F3N3O/c1-6(15-5-9(18)11(12,13)14)10-7(2)16-17(4)8(10)3/h6,9,15,18H,5H2,1-4H3
InChIKeyFCLHCFDVKKTLJR-UHFFFAOYSA-N
XLogP1.61
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,1,1-trifluoro-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-ol 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 1,1,1-trifluoro-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-ol (CID 103778742) is 1,1,1-trifluoro-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-ol is Cc1nn(C)c(C)c1C(C)NCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-ol?
The InChIKey is FCLHCFDVKKTLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-6(15-5-9(18)11(12,13)14)10-7(2)16-17(4)8(10)3/h6,9,15,18H,5H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-ol?
1,1,1-trifluoro-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-ol has a molecular weight of 265.28 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 103778742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).