(3-ethylsulfonylazetidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone

C12H19N3O3S — CID 91625517

IUPAC(3-ethylsulfonylazetidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCCS(=O)(=O)C1CN(C(=O)c2c(C)nn(C)c2C)C1
InChIInChI=1S/C12H19N3O3S/c1-5-19(17,18)10-6-15(7-10)12(16)11-8(2)13-14(4)9(11)3/h10H,5-7H2,1-4H3
InChIKeyDIKJLQSJEIMOAM-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.30
Rot. Bonds3

About (3-ethylsulfonylazetidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone

(3-ethylsulfonylazetidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone (PubChem CID 91625517) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is (3-ethylsulfonylazetidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(3-ethylsulfonylazetidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
PubChem CID91625517
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name(3-ethylsulfonylazetidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCCS(=O)(=O)C1CN(C(=O)c2c(C)nn(C)c2C)C1
InChIInChI=1S/C12H19N3O3S/c1-5-19(17,18)10-6-15(7-10)12(16)11-8(2)13-14(4)9(11)3/h10H,5-7H2,1-4H3
InChIKeyDIKJLQSJEIMOAM-UHFFFAOYSA-N
XLogP0.30
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,1-dioxo-1lambda6-thiolan-3-yl)-3,5-dimethyl-1H-pyrazole-4-carbaldehyde
CID 4961852
(4aS*,7aR*)-1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)carbonyl]-4-propyloctahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70712134
(3-(fluoromethyl)azetidin-1-yl)(1,3,5-trimethyl-1H-pyrazol-4-yl)methanone
CID 121020730
1-[3,5-Dimethyl-1-(2-methylsulfonylethyl)pyrazol-4-yl]-2,2,2-trifluoroethanone
CID 55242331
1-[1-(1,1-Dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]-2,2,2-trifluoroethanone
CID 63753509
1-[3,5-Dimethyl-1-(3-methylsulfonylpropyl)pyrazol-4-yl]-2,2,2-trifluoroethanone
CID 63753510
1-[1-(3-Ethylsulfonylpropyl)-3,5-dimethylpyrazol-4-yl]-2,2,2-trifluoroethanone
CID 65096869
1-[1-(2-Ethylsulfonylethyl)-3,5-dimethylpyrazol-4-yl]-2,2,2-trifluoroethanone
CID 106730488
1-[3,5-Dimethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]-2,2,2-trifluoroethanone
CID 106730489
1-[3,5-Dimethyl-1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]-2,2,2-trifluoroethanone
CID 106730490
1-[(1-Ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713832
1-[3,5-dimethyl-1-(1-methyl-3-oxo-3-thiomorpholin-4-ylpropyl)-1H-pyrazol-4-yl]ethanone
CID 118794779

Frequently Asked Questions

What is the IUPAC name of (3-ethylsulfonylazetidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone?
The IUPAC name of (3-ethylsulfonylazetidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone (CID 91625517) is (3-ethylsulfonylazetidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone.
What is the SMILES notation for (3-ethylsulfonylazetidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone?
The canonical SMILES for (3-ethylsulfonylazetidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone is CCS(=O)(=O)C1CN(C(=O)c2c(C)nn(C)c2C)C1.
What is the InChIKey of (3-ethylsulfonylazetidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone?
The InChIKey is DIKJLQSJEIMOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-5-19(17,18)10-6-15(7-10)12(16)11-8(2)13-14(4)9(11)3/h10H,5-7H2,1-4H3.
What are the key properties of (3-ethylsulfonylazetidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone?
(3-ethylsulfonylazetidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone has a molecular weight of 285.37 g/mol, XLogP of 0.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylsulfonylazetidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 91625517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).