(4-methylsulfonylphenyl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone

C16H19N3O3S — CID 95158589

IUPAC(4-methylsulfonylphenyl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
SMILESCS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](n3cccn3)C2)cc1
InChIInChI=1S/C16H19N3O3S/c1-23(21,22)15-7-5-13(6-8-15)16(20)18-10-2-4-14(12-18)19-11-3-9-17-19/h3,5-9,11,14H,2,4,10,12H2,1H3/t14-/m1/s1
InChIKeyVWNLQDGQQVEHDZ-CQSZACIVSA-N
MW333.41 g/mol
LogP1.76
Rot. Bonds3

About (4-methylsulfonylphenyl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone

(4-methylsulfonylphenyl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone (PubChem CID 95158589) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is (4-methylsulfonylphenyl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylsulfonylphenyl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
PubChem CID95158589
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name(4-methylsulfonylphenyl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
SMILESCS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](n3cccn3)C2)cc1
InChIInChI=1S/C16H19N3O3S/c1-23(21,22)15-7-5-13(6-8-15)16(20)18-10-2-4-14(12-18)19-11-3-9-17-19/h3,5-9,11,14H,2,4,10,12H2,1H3/t14-/m1/s1
InChIKeyVWNLQDGQQVEHDZ-CQSZACIVSA-N
XLogP1.76
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-aminophenyl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110474500
[(3S)-3-pyrazol-1-ylpiperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 95282730
[4-(pyrazol-1-ylmethyl)phenyl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95277241
1-[4-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 95337402
[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-thiophen-3-ylmethanone
CID 95383030
[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158560
1,3-benzodioxol-5-yl-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158283
5-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 95282709
N-methyl-5-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridine-2-carboxamide
CID 95273055
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95272362
(5-bromothiophen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158101
1-methyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one
CID 95383189

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfonylphenyl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
The IUPAC name of (4-methylsulfonylphenyl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone (CID 95158589) is (4-methylsulfonylphenyl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone.
What is the SMILES notation for (4-methylsulfonylphenyl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
The canonical SMILES for (4-methylsulfonylphenyl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone is CS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](n3cccn3)C2)cc1.
What is the InChIKey of (4-methylsulfonylphenyl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
The InChIKey is VWNLQDGQQVEHDZ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-23(21,22)15-7-5-13(6-8-15)16(20)18-10-2-4-14(12-18)19-11-3-9-17-19/h3,5-9,11,14H,2,4,10,12H2,1H3/t14-/m1/s1.
What are the key properties of (4-methylsulfonylphenyl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
(4-methylsulfonylphenyl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone has a molecular weight of 333.41 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfonylphenyl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 95158589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).