5-methyl-2-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]pyridine

C15H20N4O2S — CID 125026119

IUPAC5-methyl-2-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]pyridine
SMILESCc1ccc(N2CCC[C@@H](c3[nH]ncc3S(C)(=O)=O)C2)nc1
InChIInChI=1S/C15H20N4O2S/c1-11-5-6-14(16-8-11)19-7-3-4-12(10-19)15-13(9-17-18-15)22(2,20)21/h5-6,8-9,12H,3-4,7,10H2,1-2H3,(H,17,18)/t12-/m1/s1
InChIKeyZRKIYUYUVTUEIJ-GFCCVEGCSA-N
MW320.42 g/mol
LogP1.90
Rot. Bonds3

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

5-methyl-2-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]pyridine (PubChem CID 125026119) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 5-methyl-2-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name5-methyl-2-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]pyridine
PubChem CID125026119
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name5-methyl-2-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]pyridine
SMILESCc1ccc(N2CCC[C@@H](c3[nH]ncc3S(C)(=O)=O)C2)nc1
InChIInChI=1S/C15H20N4O2S/c1-11-5-6-14(16-8-11)19-7-3-4-12(10-19)15-13(9-17-18-15)22(2,20)21/h5-6,8-9,12H,3-4,7,10H2,1-2H3,(H,17,18)/t12-/m1/s1
InChIKeyZRKIYUYUVTUEIJ-GFCCVEGCSA-N
XLogP1.90
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine
CID 110269018
(5-methylpyrazin-2-yl)-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95829703
(3S)-1-[(3-methylphenyl)methyl]-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine
CID 124990081
(3S)-N,N-dimethyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide
CID 124956608
5-[(3S)-1-ethylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole
CID 124641326
5-(1-ethylsulfonylpyrrolidin-3-yl)-4-methylsulfonyl-1H-pyrazole
CID 110106115
5-[(3R)-1-ethylsulfonylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole
CID 125025175
(6-methyl-3-pyridinyl)-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124996228
[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 125001889
[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 125001888
1-methyl-4-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]piperidine
CID 124950620
4-methylsulfonyl-5-[(3S)-1-pentan-3-ylpyrrolidin-3-yl]-1H-pyrazole
CID 125006037

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]pyridine?
The IUPAC name of 5-methyl-2-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]pyridine (CID 125026119) is 5-methyl-2-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]pyridine.
What is the SMILES notation for 5-methyl-2-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]pyridine?
The canonical SMILES for 5-methyl-2-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]pyridine is Cc1ccc(N2CCC[C@@H](c3[nH]ncc3S(C)(=O)=O)C2)nc1.
What is the InChIKey of 5-methyl-2-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]pyridine?
The InChIKey is ZRKIYUYUVTUEIJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-11-5-6-14(16-8-11)19-7-3-4-12(10-19)15-13(9-17-18-15)22(2,20)21/h5-6,8-9,12H,3-4,7,10H2,1-2H3,(H,17,18)/t12-/m1/s1.
What are the key properties of 5-methyl-2-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]pyridine?
5-methyl-2-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]pyridine has a molecular weight of 320.42 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]pyridine is sourced from PubChem (CID 125026119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).