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

C15H21N5O3S — CID 124957434

IUPAC2-(2-methylimidazol-1-yl)-1-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESCc1nccn1CC(=O)N1CCC[C@@H](c2[nH]ncc2S(C)(=O)=O)C1
InChIInChI=1S/C15H21N5O3S/c1-11-16-5-7-19(11)10-14(21)20-6-3-4-12(9-20)15-13(8-17-18-15)24(2,22)23/h5,7-8,12H,3-4,6,9-10H2,1-2H3,(H,17,18)/t12-/m1/s1
InChIKeyFYSZUFIIWALDCY-GFCCVEGCSA-N
MW351.43 g/mol
LogP0.72
Rot. Bonds4

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

2-(2-methylimidazol-1-yl)-1-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 124957434) has the molecular formula C15H21N5O3S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)-1-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)-1-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
PubChem CID124957434
Molecular FormulaC15H21N5O3S
Molecular Weight351.43 g/mol
Exact Mass351.14
IUPAC Name2-(2-methylimidazol-1-yl)-1-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESCc1nccn1CC(=O)N1CCC[C@@H](c2[nH]ncc2S(C)(=O)=O)C1
InChIInChI=1S/C15H21N5O3S/c1-11-16-5-7-19(11)10-14(21)20-6-3-4-12(9-20)15-13(8-17-18-15)24(2,22)23/h5,7-8,12H,3-4,6,9-10H2,1-2H3,(H,17,18)/t12-/m1/s1
InChIKeyFYSZUFIIWALDCY-GFCCVEGCSA-N
XLogP0.72
TPSA100.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methylimidazol-1-yl)-1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 124962838
1-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 95829700
(5-methylpyrazin-2-yl)-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95829703
2-(2-methylimidazol-1-yl)-1-[(3R)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 124949880
2-cyclopropyl-1-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 124972172
2-(2-methylimidazol-1-yl)-1-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 125016000
(2-methylpyrazol-3-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 175652651
1-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 97187284
2-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine
CID 110269018
N-(4-fluorophenyl)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 110214013
1-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 127247209
[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 124945178

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)-1-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-methylimidazol-1-yl)-1-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone (CID 124957434) is 2-(2-methylimidazol-1-yl)-1-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)-1-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methylimidazol-1-yl)-1-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone is Cc1nccn1CC(=O)N1CCC[C@@H](c2[nH]ncc2S(C)(=O)=O)C1.
What is the InChIKey of 2-(2-methylimidazol-1-yl)-1-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is FYSZUFIIWALDCY-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N5O3S/c1-11-16-5-7-19(11)10-14(21)20-6-3-4-12(9-20)15-13(8-17-18-15)24(2,22)23/h5,7-8,12H,3-4,6,9-10H2,1-2H3,(H,17,18)/t12-/m1/s1.
What are the key properties of 2-(2-methylimidazol-1-yl)-1-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
2-(2-methylimidazol-1-yl)-1-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 351.43 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)-1-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 124957434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).