1-(3-aminopyrazol-1-yl)-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid

C9H14F3N3O3 — CID 118113709

IUPAC1-(3-aminopyrazol-1-yl)-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid
SMILESCC(C)(O)Cn1ccc(N)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H13N3O.C2HF3O2/c1-7(2,11)5-10-4-3-6(8)9-10;3-2(4,5)1(6)7/h3-4,11H,5H2,1-2H3,(H2,8,9);(H,6,7)
InChIKeyOYNCAVGMGNTMHX-UHFFFAOYSA-N
MW269.22 g/mol
LogP0.87
Rot. Bonds2

About 1-(3-aminopyrazol-1-yl)-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid

1-(3-aminopyrazol-1-yl)-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid (PubChem CID 118113709) has the molecular formula C9H14F3N3O3 and a molecular weight of 269.22 g/mol. Its IUPAC name is 1-(3-aminopyrazol-1-yl)-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(3-aminopyrazol-1-yl)-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid
PubChem CID118113709
Molecular FormulaC9H14F3N3O3
Molecular Weight269.22 g/mol
Exact Mass269.10
IUPAC Name1-(3-aminopyrazol-1-yl)-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid
SMILESCC(C)(O)Cn1ccc(N)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H13N3O.C2HF3O2/c1-7(2,11)5-10-4-3-6(8)9-10;3-2(4,5)1(6)7/h3-4,11H,5H2,1-2H3,(H2,8,9);(H,6,7)
InChIKeyOYNCAVGMGNTMHX-UHFFFAOYSA-N
XLogP0.87
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(3-amino-1H-pyrazol-1-yl)acetate
CID 50989159
1-(3-amino-1H-pyrazol-1-yl)-2-methylpropan-2-ol
CID 59344938
1-(azetidin-3-yl)-1H-pyrazol-3-amine; trifluoroacetic acid
CID 146155642
2-Ethylpyrazol-3-amine;2,2,2-trifluoroacetic acid
CID 68726135
2,2,2-Trifluoroacetic acid;1-(2,2,2-trifluoroethyl)pyrazol-3-amine
CID 118092447
1-(3,3,3-Trifluoro-2-propoxypropyl)pyrazol-3-amine
CID 172309891
3-(3-Aminopyrazol-1-yl)-1,1,1-trifluoropropan-2-ol
CID 172309905
N-pentyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine;2,2,2-trifluoroacetic acid
CID 174816464
Potassium;2-methylpropan-2-olate;1-(3,3,3-trifluoro-2-propoxypropyl)pyrazol-3-amine
CID 176091352
(3-Methoxy-3-methylbutyl) 2-(3-aminopyrazol-1-yl)acetate
CID 103036396
2,2-Difluoroethyl 2-(3-aminopyrazol-1-yl)acetate
CID 62111580
2-(2,2,2-Trifluoroethoxy)ethyl 2-(3-aminopyrazol-1-yl)acetate
CID 62111586

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopyrazol-1-yl)-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(3-aminopyrazol-1-yl)-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid (CID 118113709) is 1-(3-aminopyrazol-1-yl)-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(3-aminopyrazol-1-yl)-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(3-aminopyrazol-1-yl)-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid is CC(C)(O)Cn1ccc(N)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(3-aminopyrazol-1-yl)-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid?
The InChIKey is OYNCAVGMGNTMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O.C2HF3O2/c1-7(2,11)5-10-4-3-6(8)9-10;3-2(4,5)1(6)7/h3-4,11H,5H2,1-2H3,(H2,8,9);(H,6,7).
What are the key properties of 1-(3-aminopyrazol-1-yl)-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid?
1-(3-aminopyrazol-1-yl)-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid has a molecular weight of 269.22 g/mol, XLogP of 0.87, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopyrazol-1-yl)-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118113709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).