1H-pyrazol-5-yl-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone

C19H22F3N3O3S — CID 68524603

IUPAC1H-pyrazol-5-yl-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone
SMILESCC(C)(C1CCN(C(=O)c2ccn[nH]2)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H22F3N3O3S/c1-18(2,29(27,28)15-5-3-4-14(12-15)19(20,21)22)13-7-10-25(11-8-13)17(26)16-6-9-23-24-16/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,23,24)
InChIKeyOMIFSHZFLFCFLK-UHFFFAOYSA-N
MW429.46 g/mol
LogP3.53
Rot. Bonds4

About 1H-pyrazol-5-yl-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone

1H-pyrazol-5-yl-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone (PubChem CID 68524603) has the molecular formula C19H22F3N3O3S and a molecular weight of 429.46 g/mol. Its IUPAC name is 1H-pyrazol-5-yl-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-pyrazol-5-yl-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone
PubChem CID68524603
Molecular FormulaC19H22F3N3O3S
Molecular Weight429.46 g/mol
Exact Mass429.13
IUPAC Name1H-pyrazol-5-yl-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone
SMILESCC(C)(C1CCN(C(=O)c2ccn[nH]2)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H22F3N3O3S/c1-18(2,29(27,28)15-5-3-4-14(12-15)19(20,21)22)13-7-10-25(11-8-13)17(26)16-6-9-23-24-16/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,23,24)
InChIKeyOMIFSHZFLFCFLK-UHFFFAOYSA-N
XLogP3.53
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-5-yl-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone?
The IUPAC name of 1H-pyrazol-5-yl-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone (CID 68524603) is 1H-pyrazol-5-yl-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for 1H-pyrazol-5-yl-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for 1H-pyrazol-5-yl-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone is CC(C)(C1CCN(C(=O)c2ccn[nH]2)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1H-pyrazol-5-yl-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone?
The InChIKey is OMIFSHZFLFCFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O3S/c1-18(2,29(27,28)15-5-3-4-14(12-15)19(20,21)22)13-7-10-25(11-8-13)17(26)16-6-9-23-24-16/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,23,24).
What are the key properties of 1H-pyrazol-5-yl-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone?
1H-pyrazol-5-yl-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone has a molecular weight of 429.46 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-5-yl-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 68524603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).