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

C8H12F3N3O — CID 62404066

IUPAC1,1,1-trifluoro-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
SMILESCn1cc(CNCC(O)C(F)(F)F)cn1
InChIInChI=1S/C8H12F3N3O/c1-14-5-6(3-13-14)2-12-4-7(15)8(9,10)11/h3,5,7,12,15H,2,4H2,1H3
InChIKeyFZAWNFKOUWIGQH-UHFFFAOYSA-N
MW223.20 g/mol
LogP0.43
Rot. Bonds4

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

1,1,1-trifluoro-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol (PubChem CID 62404066) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
PubChem CID62404066
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name1,1,1-trifluoro-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
SMILESCn1cc(CNCC(O)C(F)(F)F)cn1
InChIInChI=1S/C8H12F3N3O/c1-14-5-6(3-13-14)2-12-4-7(15)8(9,10)11/h3,5,7,12,15H,2,4H2,1H3
InChIKeyFZAWNFKOUWIGQH-UHFFFAOYSA-N
XLogP0.43
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol (CID 62404066) is 1,1,1-trifluoro-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol is Cn1cc(CNCC(O)C(F)(F)F)cn1.
What is the InChIKey of 1,1,1-trifluoro-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol?
The InChIKey is FZAWNFKOUWIGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O/c1-14-5-6(3-13-14)2-12-4-7(15)8(9,10)11/h3,5,7,12,15H,2,4H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol?
1,1,1-trifluoro-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol has a molecular weight of 223.20 g/mol, XLogP of 0.43, 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-methylpyrazol-4-yl)methylamino]propan-2-ol is sourced from PubChem (CID 62404066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).