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

C9H14F3N3O — CID 63962234

IUPAC3-amino-1,1,1-trifluoro-2-(2-methylpyrazol-3-yl)pentan-2-ol
SMILESCCC(N)C(O)(c1ccnn1C)C(F)(F)F
InChIInChI=1S/C9H14F3N3O/c1-3-6(13)8(16,9(10,11)12)7-4-5-14-15(7)2/h4-6,16H,3,13H2,1-2H3
InChIKeyXRDMPLVKPLTKSI-UHFFFAOYSA-N
MW237.22 g/mol
LogP0.91
Rot. Bonds3

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

3-amino-1,1,1-trifluoro-2-(2-methylpyrazol-3-yl)pentan-2-ol (PubChem CID 63962234) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-2-(2-methylpyrazol-3-yl)pentan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-2-(2-methylpyrazol-3-yl)pentan-2-ol
PubChem CID63962234
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC Name3-amino-1,1,1-trifluoro-2-(2-methylpyrazol-3-yl)pentan-2-ol
SMILESCCC(N)C(O)(c1ccnn1C)C(F)(F)F
InChIInChI=1S/C9H14F3N3O/c1-3-6(13)8(16,9(10,11)12)7-4-5-14-15(7)2/h4-6,16H,3,13H2,1-2H3
InChIKeyXRDMPLVKPLTKSI-UHFFFAOYSA-N
XLogP0.91
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-2-(2-methylpyrazol-3-yl)pentan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-2-(2-methylpyrazol-3-yl)pentan-2-ol (CID 63962234) is 3-amino-1,1,1-trifluoro-2-(2-methylpyrazol-3-yl)pentan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-2-(2-methylpyrazol-3-yl)pentan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-2-(2-methylpyrazol-3-yl)pentan-2-ol is CCC(N)C(O)(c1ccnn1C)C(F)(F)F.
What is the InChIKey of 3-amino-1,1,1-trifluoro-2-(2-methylpyrazol-3-yl)pentan-2-ol?
The InChIKey is XRDMPLVKPLTKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-3-6(13)8(16,9(10,11)12)7-4-5-14-15(7)2/h4-6,16H,3,13H2,1-2H3.
What are the key properties of 3-amino-1,1,1-trifluoro-2-(2-methylpyrazol-3-yl)pentan-2-ol?
3-amino-1,1,1-trifluoro-2-(2-methylpyrazol-3-yl)pentan-2-ol has a molecular weight of 237.22 g/mol, XLogP of 0.91, 3 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-(2-methylpyrazol-3-yl)pentan-2-ol is sourced from PubChem (CID 63962234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).