1-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-ol

C8H12F3N3O — CID 118365555

IUPAC1-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1cc(N)c(C(F)(F)F)n1
InChIInChI=1S/C8H12F3N3O/c1-7(2,15)4-14-3-5(12)6(13-14)8(9,10)11/h3,15H,4,12H2,1-2H3
InChIKeyVHJGXDGTXYVNST-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.25
Rot. Bonds2

About 1-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-ol

1-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-ol (PubChem CID 118365555) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is 1-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-ol
PubChem CID118365555
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name1-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1cc(N)c(C(F)(F)F)n1
InChIInChI=1S/C8H12F3N3O/c1-7(2,15)4-14-3-5(12)6(13-14)8(9,10)11/h3,15H,4,12H2,1-2H3
InChIKeyVHJGXDGTXYVNST-UHFFFAOYSA-N
XLogP1.25
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-ol (CID 118365555) is 1-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-ol is CC(C)(O)Cn1cc(N)c(C(F)(F)F)n1.
What is the InChIKey of 1-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is VHJGXDGTXYVNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O/c1-7(2,15)4-14-3-5(12)6(13-14)8(9,10)11/h3,15H,4,12H2,1-2H3.
What are the key properties of 1-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-ol?
1-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 223.20 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 118365555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).