4-[[3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol

C17H23N3O3S — CID 110272355

IUPAC4-[[3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol
SMILESCC1(c2[nH]ncc2S(C)(=O)=O)CCCN(Cc2ccc(O)cc2)C1
InChIInChI=1S/C17H23N3O3S/c1-17(16-15(10-18-19-16)24(2,22)23)8-3-9-20(12-17)11-13-4-6-14(21)7-5-13/h4-7,10,21H,3,8-9,11-12H2,1-2H3,(H,18,19)
InChIKeyLRFFDUDVRAIIQF-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.07
Rot. Bonds4

About 4-[[3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol

4-[[3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol (PubChem CID 110272355) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 4-[[3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol
PubChem CID110272355
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name4-[[3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol
SMILESCC1(c2[nH]ncc2S(C)(=O)=O)CCCN(Cc2ccc(O)cc2)C1
InChIInChI=1S/C17H23N3O3S/c1-17(16-15(10-18-19-16)24(2,22)23)8-3-9-20(12-17)11-13-4-6-14(21)7-5-13/h4-7,10,21H,3,8-9,11-12H2,1-2H3,(H,18,19)
InChIKeyLRFFDUDVRAIIQF-UHFFFAOYSA-N
XLogP2.07
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol with MolForge

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Related Compounds

2-[(3R)-3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 125000035
[3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-phenylmethanone
CID 110272344
[3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110272338
5-(1-benzyl-3-methylpiperidin-3-yl)-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 110272328
5-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole
CID 127244850
(3R)-1-[(4-fluorophenyl)methyl]-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine
CID 124945183
3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-ol
CID 115872482
3-methyl-1-[(4-methylphenyl)methyl]-3-(2H-tetrazol-5-yl)piperidine
CID 167942440
3-amino-1-[(4-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107321090
4-[[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyridine
CID 124981670
4-[[4-(aminomethyl)-4-methylpiperidin-1-yl]methyl]phenol
CID 107160669
4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenol
CID 82975258

Frequently Asked Questions

What is the IUPAC name of 4-[[3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol?
The IUPAC name of 4-[[3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol (CID 110272355) is 4-[[3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 4-[[3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol?
The canonical SMILES for 4-[[3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol is CC1(c2[nH]ncc2S(C)(=O)=O)CCCN(Cc2ccc(O)cc2)C1.
What is the InChIKey of 4-[[3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol?
The InChIKey is LRFFDUDVRAIIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-17(16-15(10-18-19-16)24(2,22)23)8-3-9-20(12-17)11-13-4-6-14(21)7-5-13/h4-7,10,21H,3,8-9,11-12H2,1-2H3,(H,18,19).
What are the key properties of 4-[[3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol?
4-[[3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol has a molecular weight of 349.46 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 110272355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).