3-amino-1,1,1-trifluoro-2-(1-methylpyrazol-4-yl)butan-2-ol

C8H12F3N3O — CID 63081554

IUPAC3-amino-1,1,1-trifluoro-2-(1-methylpyrazol-4-yl)butan-2-ol
SMILESCC(N)C(O)(c1cnn(C)c1)C(F)(F)F
InChIInChI=1S/C8H12F3N3O/c1-5(12)7(15,8(9,10)11)6-3-13-14(2)4-6/h3-5,15H,12H2,1-2H3
InChIKeyLPIUZGOCNRPWNU-UHFFFAOYSA-N
MW223.20 g/mol
LogP0.52
Rot. Bonds2

About 3-amino-1,1,1-trifluoro-2-(1-methylpyrazol-4-yl)butan-2-ol

3-amino-1,1,1-trifluoro-2-(1-methylpyrazol-4-yl)butan-2-ol (PubChem CID 63081554) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-2-(1-methylpyrazol-4-yl)butan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-2-(1-methylpyrazol-4-yl)butan-2-ol
PubChem CID63081554
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name3-amino-1,1,1-trifluoro-2-(1-methylpyrazol-4-yl)butan-2-ol
SMILESCC(N)C(O)(c1cnn(C)c1)C(F)(F)F
InChIInChI=1S/C8H12F3N3O/c1-5(12)7(15,8(9,10)11)6-3-13-14(2)4-6/h3-5,15H,12H2,1-2H3
InChIKeyLPIUZGOCNRPWNU-UHFFFAOYSA-N
XLogP0.52
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-1,1,1-trifluoro-2-(1-methylpyrazol-4-yl)butan-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 3-amino-1,1,1-trifluoro-2-(1-methylpyrazol-4-yl)butan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-2-(1-methylpyrazol-4-yl)butan-2-ol (CID 63081554) is 3-amino-1,1,1-trifluoro-2-(1-methylpyrazol-4-yl)butan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-2-(1-methylpyrazol-4-yl)butan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-2-(1-methylpyrazol-4-yl)butan-2-ol is CC(N)C(O)(c1cnn(C)c1)C(F)(F)F.
What is the InChIKey of 3-amino-1,1,1-trifluoro-2-(1-methylpyrazol-4-yl)butan-2-ol?
The InChIKey is LPIUZGOCNRPWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O/c1-5(12)7(15,8(9,10)11)6-3-13-14(2)4-6/h3-5,15H,12H2,1-2H3.
What are the key properties of 3-amino-1,1,1-trifluoro-2-(1-methylpyrazol-4-yl)butan-2-ol?
3-amino-1,1,1-trifluoro-2-(1-methylpyrazol-4-yl)butan-2-ol has a molecular weight of 223.20 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1,1-trifluoro-2-(1-methylpyrazol-4-yl)butan-2-ol is sourced from PubChem (CID 63081554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).