[3-benzyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methanol

C19H27N3O3S — CID 45202927

IUPAC[3-benzyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methanol
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCCC(CO)(Cc2ccccc2)C1
InChIInChI=1S/C19H27N3O3S/c1-15-18(16(2)21(3)20-15)26(24,25)22-11-7-10-19(13-22,14-23)12-17-8-5-4-6-9-17/h4-6,8-9,23H,7,10-14H2,1-3H3
InChIKeyNSJSMPJDJHKDEI-UHFFFAOYSA-N
MW377.51 g/mol
LogP2.04
Rot. Bonds5

About [3-benzyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methanol

[3-benzyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methanol (PubChem CID 45202927) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is [3-benzyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-benzyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methanol
PubChem CID45202927
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC Name[3-benzyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methanol
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCCC(CO)(Cc2ccccc2)C1
InChIInChI=1S/C19H27N3O3S/c1-15-18(16(2)21(3)20-15)26(24,25)22-11-7-10-19(13-22,14-23)12-17-8-5-4-6-9-17/h4-6,8-9,23H,7,10-14H2,1-3H3
InChIKeyNSJSMPJDJHKDEI-UHFFFAOYSA-N
XLogP2.04
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

{4-(4-chlorobenzyl)-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl}methanol
CID 16187705
{3-benzyl-1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methanol
CID 16188687
4-[(4-Chlorophenyl)methyl]-4-(methoxymethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
CID 72550446
[1-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-phenylethyl)-4-piperidinyl]methanol
CID 16187938
{3-benzyl-1-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methanol
CID 16191666
4-(4-chlorobenzyl)-1-(1,3,5-trimethyl-1H-pyrazol-4-ylsulfonyl)piperidin-4-ol
CID 72550443
2-[1-Cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]ethanol
CID 11175483
[1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-3-(2-phenylethyl)-3-piperidinyl]methanol
CID 45220341
4-(3-Fluorobenzyl)-1-oxa-9-azaspiro[5.5]undec-9-YL (1,3,5-trimethyl-1H-pyrazol-4-YL) sulfone
CID 91924092
4-benzyl-1-{[1-(difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}piperidine
CID 19614806
N-Benzyl-N-methyl-N-{9-[(1,3,5-trimethyl-1H-pyrazol-4-YL)sulfonyl]-1-oxa-9-azaspiro[5.5]undec-4-YL}amine
CID 91919096
(4S)-4-[(4-methylphenyl)methyl]-9-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane
CID 164642245

Frequently Asked Questions

What is the IUPAC name of [3-benzyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methanol?
The IUPAC name of [3-benzyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methanol (CID 45202927) is [3-benzyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methanol.
What is the SMILES notation for [3-benzyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methanol?
The canonical SMILES for [3-benzyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methanol is Cc1nn(C)c(C)c1S(=O)(=O)N1CCCC(CO)(Cc2ccccc2)C1.
What is the InChIKey of [3-benzyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methanol?
The InChIKey is NSJSMPJDJHKDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-15-18(16(2)21(3)20-15)26(24,25)22-11-7-10-19(13-22,14-23)12-17-8-5-4-6-9-17/h4-6,8-9,23H,7,10-14H2,1-3H3.
What are the key properties of [3-benzyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methanol?
[3-benzyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methanol has a molecular weight of 377.51 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-benzyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methanol is sourced from PubChem (CID 45202927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).