(3-ethylsulfonylazetidin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone

C12H19N3O3S — CID 122154914

IUPAC(3-ethylsulfonylazetidin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone
SMILESCCS(=O)(=O)C1CN(C(=O)c2ccn(C(C)C)n2)C1
InChIInChI=1S/C12H19N3O3S/c1-4-19(17,18)10-7-14(8-10)12(16)11-5-6-15(13-11)9(2)3/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyMJJBWLANJVWXOI-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.72
Rot. Bonds4

About (3-ethylsulfonylazetidin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone

(3-ethylsulfonylazetidin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone (PubChem CID 122154914) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is (3-ethylsulfonylazetidin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(3-ethylsulfonylazetidin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone
PubChem CID122154914
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name(3-ethylsulfonylazetidin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone
SMILESCCS(=O)(=O)C1CN(C(=O)c2ccn(C(C)C)n2)C1
InChIInChI=1S/C12H19N3O3S/c1-4-19(17,18)10-7-14(8-10)12(16)11-5-6-15(13-11)9(2)3/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyMJJBWLANJVWXOI-UHFFFAOYSA-N
XLogP0.72
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-ethylsulfonylazetidin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone?
The IUPAC name of (3-ethylsulfonylazetidin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone (CID 122154914) is (3-ethylsulfonylazetidin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone.
What is the SMILES notation for (3-ethylsulfonylazetidin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone?
The canonical SMILES for (3-ethylsulfonylazetidin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone is CCS(=O)(=O)C1CN(C(=O)c2ccn(C(C)C)n2)C1.
What is the InChIKey of (3-ethylsulfonylazetidin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone?
The InChIKey is MJJBWLANJVWXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-4-19(17,18)10-7-14(8-10)12(16)11-5-6-15(13-11)9(2)3/h5-6,9-10H,4,7-8H2,1-3H3.
What are the key properties of (3-ethylsulfonylazetidin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone?
(3-ethylsulfonylazetidin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone has a molecular weight of 285.37 g/mol, XLogP of 0.72, 4 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-propan-2-ylpyrazol-3-yl)methanone is sourced from PubChem (CID 122154914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).