2-(2-ethylpyrazol-3-yl)-4-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine

C16H22N4O2S — CID 125017183

IUPAC2-(2-ethylpyrazol-3-yl)-4-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine
SMILESCCn1nccc1-c1cc(C[C@H]2CCN(S(C)(=O)=O)C2)ccn1
InChIInChI=1S/C16H22N4O2S/c1-3-20-16(5-8-18-20)15-11-13(4-7-17-15)10-14-6-9-19(12-14)23(2,21)22/h4-5,7-8,11,14H,3,6,9-10,12H2,1-2H3/t14-/m1/s1
InChIKeyXFQBWWHRTPZNAH-CQSZACIVSA-N
MW334.45 g/mol
LogP1.79
Rot. Bonds5

About 2-(2-ethylpyrazol-3-yl)-4-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine

2-(2-ethylpyrazol-3-yl)-4-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine (PubChem CID 125017183) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 2-(2-ethylpyrazol-3-yl)-4-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine.

Molecular Properties

Compound Name2-(2-ethylpyrazol-3-yl)-4-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine
PubChem CID125017183
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name2-(2-ethylpyrazol-3-yl)-4-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine
SMILESCCn1nccc1-c1cc(C[C@H]2CCN(S(C)(=O)=O)C2)ccn1
InChIInChI=1S/C16H22N4O2S/c1-3-20-16(5-8-18-20)15-11-13(4-7-17-15)10-14-6-9-19(12-14)23(2,21)22/h4-5,7-8,11,14H,3,6,9-10,12H2,1-2H3/t14-/m1/s1
InChIKeyXFQBWWHRTPZNAH-CQSZACIVSA-N
XLogP1.79
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine
CID 127246039
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
4-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine
CID 125005949
4-(2-ethylpyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine
CID 124964395
4-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine
CID 110102022
4-methyl-2-[4-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-2-pyridinyl]-1,3-thiazole
CID 110100349
4-(2-methylpyrazol-3-yl)-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine
CID 110101295
4-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(2-propylpyrazol-3-yl)pyrimidine
CID 124976471
2-(2-methylpyrazol-3-yl)-4-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyridine
CID 124992304
4-(2-ethylpyrazol-3-yl)-2-methyl-6-[(3R)-1-methylsulfonylpyrrolidin-3-yl]pyrimidine
CID 125012149
5-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine
CID 110102092

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpyrazol-3-yl)-4-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine?
The IUPAC name of 2-(2-ethylpyrazol-3-yl)-4-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine (CID 125017183) is 2-(2-ethylpyrazol-3-yl)-4-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine.
What is the SMILES notation for 2-(2-ethylpyrazol-3-yl)-4-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine?
The canonical SMILES for 2-(2-ethylpyrazol-3-yl)-4-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine is CCn1nccc1-c1cc(C[C@H]2CCN(S(C)(=O)=O)C2)ccn1.
What is the InChIKey of 2-(2-ethylpyrazol-3-yl)-4-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine?
The InChIKey is XFQBWWHRTPZNAH-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-3-20-16(5-8-18-20)15-11-13(4-7-17-15)10-14-6-9-19(12-14)23(2,21)22/h4-5,7-8,11,14H,3,6,9-10,12H2,1-2H3/t14-/m1/s1.
What are the key properties of 2-(2-ethylpyrazol-3-yl)-4-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine?
2-(2-ethylpyrazol-3-yl)-4-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine has a molecular weight of 334.45 g/mol, XLogP of 1.79, 5 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)-4-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine is sourced from PubChem (CID 125017183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).