1-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone

C16H25N3O3S — CID 127970603

IUPAC1-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone
SMILESCn1cc(C2CCCCN2C(=O)CC2(CS(C)(=O)=O)CC2)cn1
InChIInChI=1S/C16H25N3O3S/c1-18-11-13(10-17-18)14-5-3-4-8-19(14)15(20)9-16(6-7-16)12-23(2,21)22/h10-11,14H,3-9,12H2,1-2H3
InChIKeyYBGFGWJKQRSNOI-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.69
Rot. Bonds5

About 1-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone

1-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone (PubChem CID 127970603) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone
PubChem CID127970603
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name1-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone
SMILESCn1cc(C2CCCCN2C(=O)CC2(CS(C)(=O)=O)CC2)cn1
InChIInChI=1S/C16H25N3O3S/c1-18-11-13(10-17-18)14-5-3-4-8-19(14)15(20)9-16(6-7-16)12-23(2,21)22/h10-11,14H,3-9,12H2,1-2H3
InChIKeyYBGFGWJKQRSNOI-UHFFFAOYSA-N
XLogP1.69
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclohexyl-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone
CID 92566960
2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95348858
1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-piperidin-4-ylethanone
CID 119877965
2,2-dimethyl-1-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]propan-1-one
CID 92551768
3,3-dicyclopropyl-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 95348351
5,5-diethyl-3-[2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 95569598
[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 56801188
1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
CID 95569339
2-anilino-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 119877957
2-(2-fluorophenyl)-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95569592
(3-aminocyclopentyl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 119877945
[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119877995

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone?
The IUPAC name of 1-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone (CID 127970603) is 1-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone?
The canonical SMILES for 1-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone is Cn1cc(C2CCCCN2C(=O)CC2(CS(C)(=O)=O)CC2)cn1.
What is the InChIKey of 1-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone?
The InChIKey is YBGFGWJKQRSNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-18-11-13(10-17-18)14-5-3-4-8-19(14)15(20)9-16(6-7-16)12-23(2,21)22/h10-11,14H,3-9,12H2,1-2H3.
What are the key properties of 1-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone?
1-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone has a molecular weight of 339.46 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone is sourced from PubChem (CID 127970603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).