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

C10H16F3N3O — CID 78971654

IUPAC1,1,1-trifluoro-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-2-ol
SMILESCc1nn(C)c(C)c1CNCC(O)C(F)(F)F
InChIInChI=1S/C10H16F3N3O/c1-6-8(7(2)16(3)15-6)4-14-5-9(17)10(11,12)13/h9,14,17H,4-5H2,1-3H3
InChIKeyRFWZIHHXSLPWOH-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.05
Rot. Bonds4

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

1,1,1-trifluoro-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-2-ol (PubChem CID 78971654) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-2-ol
PubChem CID78971654
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name1,1,1-trifluoro-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-2-ol
SMILESCc1nn(C)c(C)c1CNCC(O)C(F)(F)F
InChIInChI=1S/C10H16F3N3O/c1-6-8(7(2)16(3)15-6)4-14-5-9(17)10(11,12)13/h9,14,17H,4-5H2,1-3H3
InChIKeyRFWZIHHXSLPWOH-UHFFFAOYSA-N
XLogP1.05
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,1,1-trifluoro-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]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-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-2-ol (CID 78971654) is 1,1,1-trifluoro-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-2-ol is Cc1nn(C)c(C)c1CNCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-2-ol?
The InChIKey is RFWZIHHXSLPWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-6-8(7(2)16(3)15-6)4-14-5-9(17)10(11,12)13/h9,14,17H,4-5H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-2-ol?
1,1,1-trifluoro-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-2-ol has a molecular weight of 251.25 g/mol, XLogP of 1.05, 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-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-2-ol is sourced from PubChem (CID 78971654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).