1-methyl-N-(1-methylazetidin-3-yl)pyrazol-4-amine;2,2,2-trifluoroacetic acid

C10H15F3N4O2 — CID 155225135

IUPAC1-methyl-N-(1-methylazetidin-3-yl)pyrazol-4-amine;2,2,2-trifluoroacetic acid
SMILESCN1CC(Nc2cnn(C)c2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H14N4.C2HF3O2/c1-11-4-8(5-11)10-7-3-9-12(2)6-7;3-2(4,5)1(6)7/h3,6,8,10H,4-5H2,1-2H3;(H,6,7)
InChIKeyZLUDDGUABORDSK-UHFFFAOYSA-N
MW280.25 g/mol
LogP0.78
Rot. Bonds2

About 1-methyl-N-(1-methylazetidin-3-yl)pyrazol-4-amine;2,2,2-trifluoroacetic acid

1-methyl-N-(1-methylazetidin-3-yl)pyrazol-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 155225135) has the molecular formula C10H15F3N4O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is 1-methyl-N-(1-methylazetidin-3-yl)pyrazol-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-methyl-N-(1-methylazetidin-3-yl)pyrazol-4-amine;2,2,2-trifluoroacetic acid
PubChem CID155225135
Molecular FormulaC10H15F3N4O2
Molecular Weight280.25 g/mol
Exact Mass280.11
IUPAC Name1-methyl-N-(1-methylazetidin-3-yl)pyrazol-4-amine;2,2,2-trifluoroacetic acid
SMILESCN1CC(Nc2cnn(C)c2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H14N4.C2HF3O2/c1-11-4-8(5-11)10-7-3-9-12(2)6-7;3-2(4,5)1(6)7/h3,6,8,10H,4-5H2,1-2H3;(H,6,7)
InChIKeyZLUDDGUABORDSK-UHFFFAOYSA-N
XLogP0.78
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-methylazetidin-3-yl)pyrazol-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-methyl-N-(1-methylazetidin-3-yl)pyrazol-4-amine;2,2,2-trifluoroacetic acid (CID 155225135) is 1-methyl-N-(1-methylazetidin-3-yl)pyrazol-4-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-methyl-N-(1-methylazetidin-3-yl)pyrazol-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-methyl-N-(1-methylazetidin-3-yl)pyrazol-4-amine;2,2,2-trifluoroacetic acid is CN1CC(Nc2cnn(C)c2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-methyl-N-(1-methylazetidin-3-yl)pyrazol-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is ZLUDDGUABORDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4.C2HF3O2/c1-11-4-8(5-11)10-7-3-9-12(2)6-7;3-2(4,5)1(6)7/h3,6,8,10H,4-5H2,1-2H3;(H,6,7).
What are the key properties of 1-methyl-N-(1-methylazetidin-3-yl)pyrazol-4-amine;2,2,2-trifluoroacetic acid?
1-methyl-N-(1-methylazetidin-3-yl)pyrazol-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 280.25 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-methylazetidin-3-yl)pyrazol-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155225135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).