1-pyrazol-1-ylpropan-2-amine;2,2,2-trifluoroacetic acid

C8H12F3N3O2 — CID 71283827

IUPAC1-pyrazol-1-ylpropan-2-amine;2,2,2-trifluoroacetic acid
SMILESCC(N)Cn1cccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H11N3.C2HF3O2/c1-6(7)5-9-4-2-3-8-9;3-2(4,5)1(6)7/h2-4,6H,5,7H2,1H3;(H,6,7)
InChIKeyAOKOEHXQXGSSGY-UHFFFAOYSA-N
MW239.20 g/mol
LogP0.86
Rot. Bonds2

About 1-pyrazol-1-ylpropan-2-amine;2,2,2-trifluoroacetic acid

1-pyrazol-1-ylpropan-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 71283827) has the molecular formula C8H12F3N3O2 and a molecular weight of 239.20 g/mol. Its IUPAC name is 1-pyrazol-1-ylpropan-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-pyrazol-1-ylpropan-2-amine;2,2,2-trifluoroacetic acid
PubChem CID71283827
Molecular FormulaC8H12F3N3O2
Molecular Weight239.20 g/mol
Exact Mass239.09
IUPAC Name1-pyrazol-1-ylpropan-2-amine;2,2,2-trifluoroacetic acid
SMILESCC(N)Cn1cccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H11N3.C2HF3O2/c1-6(7)5-9-4-2-3-8-9;3-2(4,5)1(6)7/h2-4,6H,5,7H2,1H3;(H,6,7)
InChIKeyAOKOEHXQXGSSGY-UHFFFAOYSA-N
XLogP0.86
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyrazol-1-ylpropan-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-pyrazol-1-ylpropan-2-amine;2,2,2-trifluoroacetic acid (CID 71283827) is 1-pyrazol-1-ylpropan-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-pyrazol-1-ylpropan-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-pyrazol-1-ylpropan-2-amine;2,2,2-trifluoroacetic acid is CC(N)Cn1cccn1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-pyrazol-1-ylpropan-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is AOKOEHXQXGSSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3.C2HF3O2/c1-6(7)5-9-4-2-3-8-9;3-2(4,5)1(6)7/h2-4,6H,5,7H2,1H3;(H,6,7).
What are the key properties of 1-pyrazol-1-ylpropan-2-amine;2,2,2-trifluoroacetic acid?
1-pyrazol-1-ylpropan-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 239.20 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazol-1-ylpropan-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 71283827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).