2-amino-2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

C12H17F3N4O — CID 115290031

IUPAC2-amino-2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCn1cc(C(N)C(=O)N2CCCC(C(F)(F)F)C2)cn1
InChIInChI=1S/C12H17F3N4O/c1-18-6-8(5-17-18)10(16)11(20)19-4-2-3-9(7-19)12(13,14)15/h5-6,9-10H,2-4,7,16H2,1H3
InChIKeyGXKQXXPYKRTHPG-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.22
Rot. Bonds2

About 2-amino-2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

2-amino-2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 115290031) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-amino-2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID115290031
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name2-amino-2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCn1cc(C(N)C(=O)N2CCCC(C(F)(F)F)C2)cn1
InChIInChI=1S/C12H17F3N4O/c1-18-6-8(5-17-18)10(16)11(20)19-4-2-3-9(7-19)12(13,14)15/h5-6,9-10H,2-4,7,16H2,1H3
InChIKeyGXKQXXPYKRTHPG-UHFFFAOYSA-N
XLogP1.22
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (CID 115290031) is 2-amino-2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is Cn1cc(C(N)C(=O)N2CCCC(C(F)(F)F)C2)cn1.
What is the InChIKey of 2-amino-2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is GXKQXXPYKRTHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-18-6-8(5-17-18)10(16)11(20)19-4-2-3-9(7-19)12(13,14)15/h5-6,9-10H,2-4,7,16H2,1H3.
What are the key properties of 2-amino-2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
2-amino-2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 290.29 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 115290031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).