4-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine

C17H24N4O2S — CID 125005949

IUPAC4-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine
SMILESCC(C)n1nccc1-c1cc(C[C@@H]2CCN(S(C)(=O)=O)C2)ccn1
InChIInChI=1S/C17H24N4O2S/c1-13(2)21-17(5-8-19-21)16-11-14(4-7-18-16)10-15-6-9-20(12-15)24(3,22)23/h4-5,7-8,11,13,15H,6,9-10,12H2,1-3H3/t15-/m0/s1
InChIKeyUCSKVXMDHUFYTC-HNNXBMFYSA-N
MW348.47 g/mol
LogP2.35
Rot. Bonds5

About 4-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine

4-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine (PubChem CID 125005949) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 4-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine.

Molecular Properties

Compound Name4-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine
PubChem CID125005949
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name4-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine
SMILESCC(C)n1nccc1-c1cc(C[C@@H]2CCN(S(C)(=O)=O)C2)ccn1
InChIInChI=1S/C17H24N4O2S/c1-13(2)21-17(5-8-19-21)16-11-14(4-7-18-16)10-15-6-9-20(12-15)24(3,22)23/h4-5,7-8,11,13,15H,6,9-10,12H2,1-3H3/t15-/m0/s1
InChIKeyUCSKVXMDHUFYTC-HNNXBMFYSA-N
XLogP2.35
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine
CID 110102022
2-(2-ethylpyrazol-3-yl)-4-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine
CID 125017183
1-[(3S)-3-[[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 124991548
4-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine
CID 127246039
4-methyl-2-[4-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-2-pyridinyl]-1,3-thiazole
CID 110100349
2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine
CID 124977978
2-(2-ethylpyrazol-3-yl)-5-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine
CID 110102065
2-(2-ethylpyrazol-3-yl)-5-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine
CID 125022325
4-(2-methylpyrazol-3-yl)-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine
CID 110101295
2-(2-methylpyrazol-3-yl)-4-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyridine
CID 124992304
2-methyl-4-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-6-(2-propan-2-ylpyrazol-3-yl)pyrimidine
CID 124957097
2-(2-methylpyrazol-3-yl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine
CID 110102016

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine?
The IUPAC name of 4-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine (CID 125005949) is 4-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine.
What is the SMILES notation for 4-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine?
The canonical SMILES for 4-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine is CC(C)n1nccc1-c1cc(C[C@@H]2CCN(S(C)(=O)=O)C2)ccn1.
What is the InChIKey of 4-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine?
The InChIKey is UCSKVXMDHUFYTC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-13(2)21-17(5-8-19-21)16-11-14(4-7-18-16)10-15-6-9-20(12-15)24(3,22)23/h4-5,7-8,11,13,15H,6,9-10,12H2,1-3H3/t15-/m0/s1.
What are the key properties of 4-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine?
4-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine has a molecular weight of 348.47 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine is sourced from PubChem (CID 125005949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).