2-(5-methyl-1H-pyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine

C16H22N4O2S — CID 110102093

IUPAC2-(5-methyl-1H-pyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine
SMILESCc1cc(-c2ccc(CC3CCN(S(C)(=O)=O)CC3)cn2)n[nH]1
InChIInChI=1S/C16H22N4O2S/c1-12-9-16(19-18-12)15-4-3-14(11-17-15)10-13-5-7-20(8-6-13)23(2,21)22/h3-4,9,11,13H,5-8,10H2,1-2H3,(H,18,19)
InChIKeyOVFPYEOKJBJAKU-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.99
Rot. Bonds4

About 2-(5-methyl-1H-pyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine

2-(5-methyl-1H-pyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine (PubChem CID 110102093) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 2-(5-methyl-1H-pyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine.

Molecular Properties

Compound Name2-(5-methyl-1H-pyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine
PubChem CID110102093
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name2-(5-methyl-1H-pyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine
SMILESCc1cc(-c2ccc(CC3CCN(S(C)(=O)=O)CC3)cn2)n[nH]1
InChIInChI=1S/C16H22N4O2S/c1-12-9-16(19-18-12)15-4-3-14(11-17-15)10-13-5-7-20(8-6-13)23(2,21)22/h3-4,9,11,13H,5-8,10H2,1-2H3,(H,18,19)
InChIKeyOVFPYEOKJBJAKU-UHFFFAOYSA-N
XLogP1.99
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine
CID 110102090
2-(5-methyl-1H-pyrazol-3-yl)-5-(pyrrolidin-3-ylmethyl)pyridine
CID 110102053
4-(5-methyl-1H-pyrazol-3-yl)-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine
CID 110101299
4-(5-methyl-1H-pyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrimidine
CID 125001125
5-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine
CID 110102092
2-(2-ethylpyrazol-3-yl)-5-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine
CID 125022325
2-(2-ethylpyrazol-3-yl)-5-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine
CID 110102065
2-(5-methyl-1H-pyrazol-3-yl)-5-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 124966971
4-[5-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-pyridinyl]benzoic acid
CID 124939693
5-[5-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-2-pyridinyl]pyridine-3-carboxylic acid
CID 110112120
2-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpiperidin-4-yl)pyrazine
CID 175652292
4-(5-methyl-1H-pyrazol-3-yl)-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine
CID 124995645

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine?
The IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine (CID 110102093) is 2-(5-methyl-1H-pyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine.
What is the SMILES notation for 2-(5-methyl-1H-pyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine?
The canonical SMILES for 2-(5-methyl-1H-pyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine is Cc1cc(-c2ccc(CC3CCN(S(C)(=O)=O)CC3)cn2)n[nH]1.
What is the InChIKey of 2-(5-methyl-1H-pyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine?
The InChIKey is OVFPYEOKJBJAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-12-9-16(19-18-12)15-4-3-14(11-17-15)10-13-5-7-20(8-6-13)23(2,21)22/h3-4,9,11,13H,5-8,10H2,1-2H3,(H,18,19).
What are the key properties of 2-(5-methyl-1H-pyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine?
2-(5-methyl-1H-pyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine has a molecular weight of 334.45 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-pyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine is sourced from PubChem (CID 110102093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).