4-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-2-(2-propylpyrazol-3-yl)pyridine

C16H22N4O2S — CID 124997758

IUPAC4-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-2-(2-propylpyrazol-3-yl)pyridine
SMILESCCCn1nccc1-c1cc([C@H]2CCCN2S(C)(=O)=O)ccn1
InChIInChI=1S/C16H22N4O2S/c1-3-10-19-16(7-9-18-19)14-12-13(6-8-17-14)15-5-4-11-20(15)23(2,21)22/h6-9,12,15H,3-5,10-11H2,1-2H3/t15-/m1/s1
InChIKeyRCTLOLFUPQDOEH-OAHLLOKOSA-N
MW334.45 g/mol
LogP2.45
Rot. Bonds5

About 4-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-2-(2-propylpyrazol-3-yl)pyridine

4-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-2-(2-propylpyrazol-3-yl)pyridine (PubChem CID 124997758) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 4-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-2-(2-propylpyrazol-3-yl)pyridine.

Molecular Properties

Compound Name4-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-2-(2-propylpyrazol-3-yl)pyridine
PubChem CID124997758
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name4-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-2-(2-propylpyrazol-3-yl)pyridine
SMILESCCCn1nccc1-c1cc([C@H]2CCCN2S(C)(=O)=O)ccn1
InChIInChI=1S/C16H22N4O2S/c1-3-10-19-16(7-9-18-19)14-12-13(6-8-17-14)15-5-4-11-20(15)23(2,21)22/h6-9,12,15H,3-5,10-11H2,1-2H3/t15-/m1/s1
InChIKeyRCTLOLFUPQDOEH-OAHLLOKOSA-N
XLogP2.45
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 ≤ 52.45
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-(5-methyl-1H-pyrazol-3-yl)-4-(1-methylsulfonylpyrrolidin-2-yl)pyridine
CID 110102004
2-(5-methyl-1H-pyrazol-3-yl)-4-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine
CID 124959185
4-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(2-propylpyrazol-3-yl)pyrimidine
CID 124976471
4-(2-ethylpyrazol-3-yl)-6-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)pyrimidine
CID 110101083
N,N-dimethyl-2-[4-methyl-6-(2-propylpyrazol-3-yl)pyrimidin-2-yl]pyrrolidine-1-sulfonamide
CID 127245981
4-(2-ethylpyrazol-3-yl)-6-methyl-2-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine
CID 125002852
4-(2-ethylpyrazol-3-yl)-6-methyl-2-[(2S)-1-methylsulfonylpiperidin-2-yl]pyrimidine
CID 125002851
2-[(3S)-1-methylsulfonylpiperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyridine
CID 124943820
2-[(3R)-1-methylsulfonylpiperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyrazine
CID 124973464
5-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine
CID 110102092
2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-6-(2-propylpyrazol-3-yl)pyridine
CID 125020548

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-2-(2-propylpyrazol-3-yl)pyridine?
The IUPAC name of 4-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-2-(2-propylpyrazol-3-yl)pyridine (CID 124997758) is 4-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-2-(2-propylpyrazol-3-yl)pyridine.
What is the SMILES notation for 4-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-2-(2-propylpyrazol-3-yl)pyridine?
The canonical SMILES for 4-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-2-(2-propylpyrazol-3-yl)pyridine is CCCn1nccc1-c1cc([C@H]2CCCN2S(C)(=O)=O)ccn1.
What is the InChIKey of 4-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-2-(2-propylpyrazol-3-yl)pyridine?
The InChIKey is RCTLOLFUPQDOEH-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-3-10-19-16(7-9-18-19)14-12-13(6-8-17-14)15-5-4-11-20(15)23(2,21)22/h6-9,12,15H,3-5,10-11H2,1-2H3/t15-/m1/s1.
What are the key properties of 4-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-2-(2-propylpyrazol-3-yl)pyridine?
4-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-2-(2-propylpyrazol-3-yl)pyridine has a molecular weight of 334.45 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-2-(2-propylpyrazol-3-yl)pyridine is sourced from PubChem (CID 124997758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).