2-amino-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol

C13H14F3N3O — CID 64810513

IUPAC2-amino-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
SMILESNC(CO)(Cn1ccc(C(F)(F)F)n1)c1ccccc1
InChIInChI=1S/C13H14F3N3O/c14-13(15,16)11-6-7-19(18-11)8-12(17,9-20)10-4-2-1-3-5-10/h1-7,20H,8-9,17H2
InChIKeyKXIXSYSXKMSUBG-UHFFFAOYSA-N
MW285.27 g/mol
LogP1.75
Rot. Bonds4

About 2-amino-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol

2-amino-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol (PubChem CID 64810513) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 2-amino-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name2-amino-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
PubChem CID64810513
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name2-amino-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
SMILESNC(CO)(Cn1ccc(C(F)(F)F)n1)c1ccccc1
InChIInChI=1S/C13H14F3N3O/c14-13(15,16)11-6-7-19(18-11)8-12(17,9-20)10-4-2-1-3-5-10/h1-7,20H,8-9,17H2
InChIKeyKXIXSYSXKMSUBG-UHFFFAOYSA-N
XLogP1.75
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol?
The IUPAC name of 2-amino-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol (CID 64810513) is 2-amino-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol.
What is the SMILES notation for 2-amino-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol?
The canonical SMILES for 2-amino-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol is NC(CO)(Cn1ccc(C(F)(F)F)n1)c1ccccc1.
What is the InChIKey of 2-amino-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol?
The InChIKey is KXIXSYSXKMSUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c14-13(15,16)11-6-7-19(18-11)8-12(17,9-20)10-4-2-1-3-5-10/h1-7,20H,8-9,17H2.
What are the key properties of 2-amino-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol?
2-amino-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol has a molecular weight of 285.27 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol is sourced from PubChem (CID 64810513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).