1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride

C12H20ClF3N4O2S — CID 120709081

IUPAC1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)CC1.Cl
InChIInChI=1S/C12H19F3N4O2S.ClH/c1-9(16)10-2-4-19(5-3-10)22(20,21)11-6-17-18(7-11)8-12(13,14)15;/h6-7,9-10H,2-5,8,16H2,1H3;1H
InChIKeyNSIQRKNTRWFBOI-UHFFFAOYSA-N
MW376.83 g/mol
LogP1.62
Rot. Bonds4

About 1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride

1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride (PubChem CID 120709081) has the molecular formula C12H20ClF3N4O2S and a molecular weight of 376.83 g/mol. Its IUPAC name is 1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride
PubChem CID120709081
Molecular FormulaC12H20ClF3N4O2S
Molecular Weight376.83 g/mol
Exact Mass376.09
IUPAC Name1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)CC1.Cl
InChIInChI=1S/C12H19F3N4O2S.ClH/c1-9(16)10-2-4-19(5-3-10)22(20,21)11-6-17-18(7-11)8-12(13,14)15;/h6-7,9-10H,2-5,8,16H2,1H3;1H
InChIKeyNSIQRKNTRWFBOI-UHFFFAOYSA-N
XLogP1.62
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.83
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride 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 1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride (CID 120709081) is 1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride is CC(N)C1CCN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)CC1.Cl.
What is the InChIKey of 1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride?
The InChIKey is NSIQRKNTRWFBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O2S.ClH/c1-9(16)10-2-4-19(5-3-10)22(20,21)11-6-17-18(7-11)8-12(13,14)15;/h6-7,9-10H,2-5,8,16H2,1H3;1H.
What are the key properties of 1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride?
1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride has a molecular weight of 376.83 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride is sourced from PubChem (CID 120709081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).