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

C7H10F3N3O — CID 62375418

IUPAC3-amino-1,1,1-trifluoro-2-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCn1cc(C(O)(CN)C(F)(F)F)cn1
InChIInChI=1S/C7H10F3N3O/c1-13-3-5(2-12-13)6(14,4-11)7(8,9)10/h2-3,14H,4,11H2,1H3
InChIKeyHOEBBSJYLPBCMA-UHFFFAOYSA-N
MW209.17 g/mol
LogP0.13
Rot. Bonds2

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

3-amino-1,1,1-trifluoro-2-(1-methylpyrazol-4-yl)propan-2-ol (PubChem CID 62375418) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-2-(1-methylpyrazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-2-(1-methylpyrazol-4-yl)propan-2-ol
PubChem CID62375418
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC Name3-amino-1,1,1-trifluoro-2-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCn1cc(C(O)(CN)C(F)(F)F)cn1
InChIInChI=1S/C7H10F3N3O/c1-13-3-5(2-12-13)6(14,4-11)7(8,9)10/h2-3,14H,4,11H2,1H3
InChIKeyHOEBBSJYLPBCMA-UHFFFAOYSA-N
XLogP0.13
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 50.13
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-(1-methylpyrazol-4-yl)propan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-2-(1-methylpyrazol-4-yl)propan-2-ol (CID 62375418) is 3-amino-1,1,1-trifluoro-2-(1-methylpyrazol-4-yl)propan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-2-(1-methylpyrazol-4-yl)propan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-2-(1-methylpyrazol-4-yl)propan-2-ol is Cn1cc(C(O)(CN)C(F)(F)F)cn1.
What is the InChIKey of 3-amino-1,1,1-trifluoro-2-(1-methylpyrazol-4-yl)propan-2-ol?
The InChIKey is HOEBBSJYLPBCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O/c1-13-3-5(2-12-13)6(14,4-11)7(8,9)10/h2-3,14H,4,11H2,1H3.
What are the key properties of 3-amino-1,1,1-trifluoro-2-(1-methylpyrazol-4-yl)propan-2-ol?
3-amino-1,1,1-trifluoro-2-(1-methylpyrazol-4-yl)propan-2-ol has a molecular weight of 209.17 g/mol, XLogP of 0.13, 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)propan-2-ol is sourced from PubChem (CID 62375418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).