2-(2-ethylpyrazol-3-yl)-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridine

C16H22N4O2S — CID 124988141

IUPAC2-(2-ethylpyrazol-3-yl)-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridine
SMILESCCn1nccc1-c1cccc([C@H]2CCCN(S(C)(=O)=O)C2)n1
InChIInChI=1S/C16H22N4O2S/c1-3-20-16(9-10-17-20)15-8-4-7-14(18-15)13-6-5-11-19(12-13)23(2,21)22/h4,7-10,13H,3,5-6,11-12H2,1-2H3/t13-/m0/s1
InChIKeyOKWXZJTWPJUGQU-ZDUSSCGKSA-N
MW334.45 g/mol
LogP2.10
Rot. Bonds4

About 2-(2-ethylpyrazol-3-yl)-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridine

2-(2-ethylpyrazol-3-yl)-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridine (PubChem CID 124988141) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 2-(2-ethylpyrazol-3-yl)-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridine.

Molecular Properties

Compound Name2-(2-ethylpyrazol-3-yl)-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridine
PubChem CID124988141
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name2-(2-ethylpyrazol-3-yl)-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridine
SMILESCCn1nccc1-c1cccc([C@H]2CCCN(S(C)(=O)=O)C2)n1
InChIInChI=1S/C16H22N4O2S/c1-3-20-16(9-10-17-20)15-8-4-7-14(18-15)13-6-5-11-19(12-13)23(2,21)22/h4,7-10,13H,3,5-6,11-12H2,1-2H3/t13-/m0/s1
InChIKeyOKWXZJTWPJUGQU-ZDUSSCGKSA-N
XLogP2.10
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-1-methylsulfonylpiperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyridine
CID 124943820
2-(2-methylpyrazol-3-yl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine
CID 124967187
2-[(3R)-1-methylsulfonylpiperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyrazine
CID 124973464
4-(2-ethylpyrazol-3-yl)-2-methyl-6-[(3R)-1-methylsulfonylpyrrolidin-3-yl]pyrimidine
CID 125012149
2-(4-fluorophenyl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine
CID 95817962
4-(2-ethylpyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine
CID 124964395
2-(3-fluorophenyl)-6-(1-methylsulfonylpiperidin-3-yl)pyridine
CID 110249421
N-cyclopentyl-6-(1-methylsulfonylpiperidin-3-yl)pyridin-2-amine
CID 110257261
2-(2-ethylpyrazol-3-yl)-5-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine
CID 125022325
2-(2-ethylpyrazol-3-yl)-4-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine
CID 125017183
2-(2-ethylpyrazol-3-yl)-5-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine
CID 110102065
2-(2-methylpyrazol-3-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 124981007

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpyrazol-3-yl)-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridine?
The IUPAC name of 2-(2-ethylpyrazol-3-yl)-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridine (CID 124988141) is 2-(2-ethylpyrazol-3-yl)-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridine.
What is the SMILES notation for 2-(2-ethylpyrazol-3-yl)-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridine?
The canonical SMILES for 2-(2-ethylpyrazol-3-yl)-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridine is CCn1nccc1-c1cccc([C@H]2CCCN(S(C)(=O)=O)C2)n1.
What is the InChIKey of 2-(2-ethylpyrazol-3-yl)-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridine?
The InChIKey is OKWXZJTWPJUGQU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-3-20-16(9-10-17-20)15-8-4-7-14(18-15)13-6-5-11-19(12-13)23(2,21)22/h4,7-10,13H,3,5-6,11-12H2,1-2H3/t13-/m0/s1.
What are the key properties of 2-(2-ethylpyrazol-3-yl)-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridine?
2-(2-ethylpyrazol-3-yl)-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridine has a molecular weight of 334.45 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpyrazol-3-yl)-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridine is sourced from PubChem (CID 124988141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).