1-(azetidin-3-yl)pyrazol-3-amine;2,2,2-trifluoroacetic acid

C8H11F3N4O2 — CID 146155642

IUPAC1-(azetidin-3-yl)pyrazol-3-amine;2,2,2-trifluoroacetic acid
SMILESNc1ccn(C2CNC2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H10N4.C2HF3O2/c7-6-1-2-10(9-6)5-3-8-4-5;3-2(4,5)1(6)7/h1-2,5,8H,3-4H2,(H2,7,9);(H,6,7)
InChIKeyVZKJCTSFAJQPCX-UHFFFAOYSA-N
MW252.20 g/mol
LogP0.24
Rot. Bonds1

About 1-(azetidin-3-yl)pyrazol-3-amine;2,2,2-trifluoroacetic acid

1-(azetidin-3-yl)pyrazol-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 146155642) has the molecular formula C8H11F3N4O2 and a molecular weight of 252.20 g/mol. Its IUPAC name is 1-(azetidin-3-yl)pyrazol-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(azetidin-3-yl)pyrazol-3-amine;2,2,2-trifluoroacetic acid
PubChem CID146155642
Molecular FormulaC8H11F3N4O2
Molecular Weight252.20 g/mol
Exact Mass252.08
IUPAC Name1-(azetidin-3-yl)pyrazol-3-amine;2,2,2-trifluoroacetic acid
SMILESNc1ccn(C2CNC2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H10N4.C2HF3O2/c7-6-1-2-10(9-6)5-3-8-4-5;3-2(4,5)1(6)7/h1-2,5,8H,3-4H2,(H2,7,9);(H,6,7)
InChIKeyVZKJCTSFAJQPCX-UHFFFAOYSA-N
XLogP0.24
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Azetidin-3-ylmethyl)-1H-pyrazole 2,2,2-trifluoroacetate
CID 170910957
2-Ethylpyrazol-3-amine;2,2,2-trifluoroacetic acid
CID 68726135
(R)-1-methyl-2-pyrazol-1-yl-ethylamine trifluoroacetate
CID 71279935
1-Pyrazol-1-ylpropan-2-amine;2,2,2-trifluoroacetic acid
CID 71283827
2,2,2-Trifluoroacetic acid;1-(2,2,2-trifluoroethyl)pyrazol-3-amine
CID 118092447
1-(3-Aminopyrazol-1-yl)-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid
CID 118113709
3-(1-Methylpyrazol-3-yl)-3,6-diazabicyclo[3.1.1]heptane;2,2,2-trifluoroacetic acid
CID 169793500
N-pentyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine;2,2,2-trifluoroacetic acid
CID 174816464
1-(Azetidin-3-yl)-1H-pyrazole Bis(2,2,2-trifluoroacetate)
CID 53484305
2-(3-aminopyrazol-1-yl)-N-(3,3,3-trifluoropropyl)acetamide
CID 63228824
2-(3-aminopyrazol-1-yl)-N-(4,4,4-trifluorobutan-2-yl)acetamide
CID 105925722
3,3,3-Trifluoro-2-[[(1-propan-2-ylpyrazol-3-yl)amino]methyl]propanoic acid
CID 114251001

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)pyrazol-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(azetidin-3-yl)pyrazol-3-amine;2,2,2-trifluoroacetic acid (CID 146155642) is 1-(azetidin-3-yl)pyrazol-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(azetidin-3-yl)pyrazol-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(azetidin-3-yl)pyrazol-3-amine;2,2,2-trifluoroacetic acid is Nc1ccn(C2CNC2)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(azetidin-3-yl)pyrazol-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is VZKJCTSFAJQPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4.C2HF3O2/c7-6-1-2-10(9-6)5-3-8-4-5;3-2(4,5)1(6)7/h1-2,5,8H,3-4H2,(H2,7,9);(H,6,7).
What are the key properties of 1-(azetidin-3-yl)pyrazol-3-amine;2,2,2-trifluoroacetic acid?
1-(azetidin-3-yl)pyrazol-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 252.20 g/mol, XLogP of 0.24, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)pyrazol-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146155642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).