2-amino-2-ethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol

C11H18F3N3O — CID 106810081

IUPAC2-amino-2-ethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol
SMILESCCC(N)(CO)CCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H18F3N3O/c1-2-10(15,8-18)5-3-6-17-7-4-9(16-17)11(12,13)14/h4,7,18H,2-3,5-6,8,15H2,1H3
InChIKeyLNBBYQJOLQSWAE-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.78
Rot. Bonds6

About 2-amino-2-ethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol

2-amino-2-ethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol (PubChem CID 106810081) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol.

Molecular Properties

Compound Name2-amino-2-ethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol
PubChem CID106810081
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name2-amino-2-ethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol
SMILESCCC(N)(CO)CCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H18F3N3O/c1-2-10(15,8-18)5-3-6-17-7-4-9(16-17)11(12,13)14/h4,7,18H,2-3,5-6,8,15H2,1H3
InChIKeyLNBBYQJOLQSWAE-UHFFFAOYSA-N
XLogP1.78
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-2-ethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-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 2-amino-2-ethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol?
The IUPAC name of 2-amino-2-ethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol (CID 106810081) is 2-amino-2-ethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol.
What is the SMILES notation for 2-amino-2-ethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol?
The canonical SMILES for 2-amino-2-ethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol is CCC(N)(CO)CCCn1ccc(C(F)(F)F)n1.
What is the InChIKey of 2-amino-2-ethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol?
The InChIKey is LNBBYQJOLQSWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-2-10(15,8-18)5-3-6-17-7-4-9(16-17)11(12,13)14/h4,7,18H,2-3,5-6,8,15H2,1H3.
What are the key properties of 2-amino-2-ethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol?
2-amino-2-ethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol has a molecular weight of 265.28 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol is sourced from PubChem (CID 106810081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).