1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride

C14H21ClF3N5O3S — CID 120712901

IUPAC1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride
SMILESCl.O=C1CNCCN1C1CCCN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)C1
InChIInChI=1S/C14H20F3N5O3S.ClH/c15-14(16,17)10-20-9-12(6-19-20)26(24,25)21-4-1-2-11(8-21)22-5-3-18-7-13(22)23;/h6,9,11,18H,1-5,7-8,10H2;1H
InChIKeyGTXRSZDWRQVJSW-UHFFFAOYSA-N
MW431.87 g/mol
LogP0.45
Rot. Bonds4

About 1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride

1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride (PubChem CID 120712901) has the molecular formula C14H21ClF3N5O3S and a molecular weight of 431.87 g/mol. Its IUPAC name is 1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride
PubChem CID120712901
Molecular FormulaC14H21ClF3N5O3S
Molecular Weight431.87 g/mol
Exact Mass431.10
IUPAC Name1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride
SMILESCl.O=C1CNCCN1C1CCCN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)C1
InChIInChI=1S/C14H20F3N5O3S.ClH/c15-14(16,17)10-20-9-12(6-19-20)26(24,25)21-4-1-2-11(8-21)22-5-3-18-7-13(22)23;/h6,9,11,18H,1-5,7-8,10H2;1H
InChIKeyGTXRSZDWRQVJSW-UHFFFAOYSA-N
XLogP0.45
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.87
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride with MolForge

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Related Compounds

N-[[(3S,4R)-3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]acetamide
CID 91920924
N-cyclohexyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide
CID 40150216
1-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 62061552
2-[methyl-[1-(oxan-4-yl)pyrazol-4-yl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 75386927
1-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-4-sulfonamide
CID 82812278
1-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrazole-4-sulfonyl chloride
CID 82911581
1-(2,2-difluoroethyl)-N-(1-piperidin-1-ylpropan-2-yl)pyrazole-4-sulfonamide
CID 86819107
1-(2,2-difluoroethyl)-N-[(2S)-1-piperidin-1-ylpropan-2-yl]pyrazole-4-sulfonamide
CID 99825189
1-(2,2-difluoroethyl)-N-[(2R)-1-piperidin-1-ylpropan-2-yl]pyrazole-4-sulfonamide
CID 99825190
4,4-difluoro-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 120350375
4,4-difluoro-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrrolidine-2-carboxamide
CID 120350376
N-(3-amino-2,2-difluoropropyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride
CID 120409424

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride?
The IUPAC name of 1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride (CID 120712901) is 1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride.
What is the SMILES notation for 1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride?
The canonical SMILES for 1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride is Cl.O=C1CNCCN1C1CCCN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)C1.
What is the InChIKey of 1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride?
The InChIKey is GTXRSZDWRQVJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N5O3S.ClH/c15-14(16,17)10-20-9-12(6-19-20)26(24,25)21-4-1-2-11(8-21)22-5-3-18-7-13(22)23;/h6,9,11,18H,1-5,7-8,10H2;1H.
What are the key properties of 1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride?
1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride has a molecular weight of 431.87 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride is sourced from PubChem (CID 120712901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).