2-amino-2-(1-methylpyrazol-4-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone

C12H18F3N5O — CID 115290440

IUPAC2-amino-2-(1-methylpyrazol-4-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
SMILESCn1cc(C(N)C(=O)N2CCN(CC(F)(F)F)CC2)cn1
InChIInChI=1S/C12H18F3N5O/c1-18-7-9(6-17-18)10(16)11(21)20-4-2-19(3-5-20)8-12(13,14)15/h6-7,10H,2-5,8,16H2,1H3
InChIKeyBGKFTOYDYLCDIN-UHFFFAOYSA-N
MW305.30 g/mol
LogP0.13
Rot. Bonds3

About 2-amino-2-(1-methylpyrazol-4-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone

2-amino-2-(1-methylpyrazol-4-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone (PubChem CID 115290440) has the molecular formula C12H18F3N5O and a molecular weight of 305.30 g/mol. Its IUPAC name is 2-amino-2-(1-methylpyrazol-4-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-2-(1-methylpyrazol-4-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
PubChem CID115290440
Molecular FormulaC12H18F3N5O
Molecular Weight305.30 g/mol
Exact Mass305.15
IUPAC Name2-amino-2-(1-methylpyrazol-4-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
SMILESCn1cc(C(N)C(=O)N2CCN(CC(F)(F)F)CC2)cn1
InChIInChI=1S/C12H18F3N5O/c1-18-7-9(6-17-18)10(16)11(21)20-4-2-19(3-5-20)8-12(13,14)15/h6-7,10H,2-5,8,16H2,1H3
InChIKeyBGKFTOYDYLCDIN-UHFFFAOYSA-N
XLogP0.13
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-2-(1-methylpyrazol-4-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-methylpyrazol-4-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-amino-2-(1-methylpyrazol-4-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone (CID 115290440) is 2-amino-2-(1-methylpyrazol-4-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-amino-2-(1-methylpyrazol-4-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-amino-2-(1-methylpyrazol-4-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone is Cn1cc(C(N)C(=O)N2CCN(CC(F)(F)F)CC2)cn1.
What is the InChIKey of 2-amino-2-(1-methylpyrazol-4-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The InChIKey is BGKFTOYDYLCDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5O/c1-18-7-9(6-17-18)10(16)11(21)20-4-2-19(3-5-20)8-12(13,14)15/h6-7,10H,2-5,8,16H2,1H3.
What are the key properties of 2-amino-2-(1-methylpyrazol-4-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
2-amino-2-(1-methylpyrazol-4-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone has a molecular weight of 305.30 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-methylpyrazol-4-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 115290440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).