(1-methylpyrrol-2-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

C15H20N4O3S — CID 118740358

IUPAC(1-methylpyrrol-2-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCn1cccc1C(=O)N1CCCCC1c1[nH]ncc1S(C)(=O)=O
InChIInChI=1S/C15H20N4O3S/c1-18-8-5-7-12(18)15(20)19-9-4-3-6-11(19)14-13(10-16-17-14)23(2,21)22/h5,7-8,10-11H,3-4,6,9H2,1-2H3,(H,16,17)
InChIKeyDUYOPZTUPRZUMW-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.52
Rot. Bonds3

About (1-methylpyrrol-2-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

(1-methylpyrrol-2-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 118740358) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is (1-methylpyrrol-2-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrrol-2-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID118740358
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name(1-methylpyrrol-2-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCn1cccc1C(=O)N1CCCCC1c1[nH]ncc1S(C)(=O)=O
InChIInChI=1S/C15H20N4O3S/c1-18-8-5-7-12(18)15(20)19-9-4-3-6-11(19)14-13(10-16-17-14)23(2,21)22/h5,7-8,10-11H,3-4,6,9H2,1-2H3,(H,16,17)
InChIKeyDUYOPZTUPRZUMW-UHFFFAOYSA-N
XLogP1.52
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1H-pyrazol-5-yl-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 110269341
(4aR*,7aS*)-1-ethyl-4-{[3-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazol-5-yl]carbonyl}octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70706181
[2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110272268
1-[2-(4-Methanesulfonyl-2H-pyrazol-3-YL)piperidin-1-YL]-2-(pyridin-3-YL)ethanone
CID 118740220
5-[2-(4-Methanesulfonyl-2H-pyrazol-3-YL)piperidine-1-carbonyl]-2-methylpyridine
CID 118740339
(3-methyl-2-pyridinyl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 118741500
(3-methyl-2-pyridinyl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 118741501
3-(1-methylpyrrol-2-yl)-N-[(E)-3-methylsulfonylprop-2-enyl]-1H-pyrazole-5-carboxamide
CID 177642049
N-[(E)-3-methylsulfonylprop-2-enyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 177644004
1-ethyl-N-[(2-methyl-1-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 91909641
1-Ethyl-N-{[2-(2-methoxyethyl)-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-A]pyrazin-3-YL]methyl}-1H-pyrazole-4-sulfonamide
CID 91920392
N-({2-Benzyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-A]pyrazin-3-YL}methyl)-1-ethyl-1H-pyrazole-4-sulfonamide
CID 91920435

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrol-2-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-methylpyrrol-2-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 118740358) is (1-methylpyrrol-2-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrrol-2-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrrol-2-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is Cn1cccc1C(=O)N1CCCCC1c1[nH]ncc1S(C)(=O)=O.
What is the InChIKey of (1-methylpyrrol-2-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is DUYOPZTUPRZUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-18-8-5-7-12(18)15(20)19-9-4-3-6-11(19)14-13(10-16-17-14)23(2,21)22/h5,7-8,10-11H,3-4,6,9H2,1-2H3,(H,16,17).
What are the key properties of (1-methylpyrrol-2-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(1-methylpyrrol-2-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 336.42 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrol-2-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 118740358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).