5-(azetidin-3-ylmethylsulfonylmethyl)-1-ethyl-3-methylpyrazole

C11H19N3O2S — CID 81198093

IUPAC5-(azetidin-3-ylmethylsulfonylmethyl)-1-ethyl-3-methylpyrazole
SMILESCCn1nc(C)cc1CS(=O)(=O)CC1CNC1
InChIInChI=1S/C11H19N3O2S/c1-3-14-11(4-9(2)13-14)8-17(15,16)7-10-5-12-6-10/h4,10,12H,3,5-8H2,1-2H3
InChIKeyYKRUCHMKKZGELV-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.35
Rot. Bonds5

About 5-(azetidin-3-ylmethylsulfonylmethyl)-1-ethyl-3-methylpyrazole

5-(azetidin-3-ylmethylsulfonylmethyl)-1-ethyl-3-methylpyrazole (PubChem CID 81198093) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 5-(azetidin-3-ylmethylsulfonylmethyl)-1-ethyl-3-methylpyrazole.

Molecular Properties

Compound Name5-(azetidin-3-ylmethylsulfonylmethyl)-1-ethyl-3-methylpyrazole
PubChem CID81198093
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name5-(azetidin-3-ylmethylsulfonylmethyl)-1-ethyl-3-methylpyrazole
SMILESCCn1nc(C)cc1CS(=O)(=O)CC1CNC1
InChIInChI=1S/C11H19N3O2S/c1-3-14-11(4-9(2)13-14)8-17(15,16)7-10-5-12-6-10/h4,10,12H,3,5-8H2,1-2H3
InChIKeyYKRUCHMKKZGELV-UHFFFAOYSA-N
XLogP0.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-5-methylpiperidine
CID 106780178
2-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfonyl]acetic acid
CID 25248551
3-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfonyl]-4-methylaniline
CID 81190186
1-ethyl-5-(ethylsulfonylmethyl)pyrazol-3-amine
CID 117217258
(2R)-2-acetamido-3-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfonyl]propanoic acid
CID 107774996
5-(chloromethyl)-1-ethyl-3-methylpyrazole
CID 50896690
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperazine
CID 25248518
5-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-methylpiperidine
CID 106780199
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclopropane-1-sulfonyl chloride
CID 165496954
3-chloro-4-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfonyl]aniline
CID 81181970
3-ethyl-4-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-4-ol
CID 114510495
4-bromo-2-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfonyl]aniline
CID 81207746

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-ylmethylsulfonylmethyl)-1-ethyl-3-methylpyrazole?
The IUPAC name of 5-(azetidin-3-ylmethylsulfonylmethyl)-1-ethyl-3-methylpyrazole (CID 81198093) is 5-(azetidin-3-ylmethylsulfonylmethyl)-1-ethyl-3-methylpyrazole.
What is the SMILES notation for 5-(azetidin-3-ylmethylsulfonylmethyl)-1-ethyl-3-methylpyrazole?
The canonical SMILES for 5-(azetidin-3-ylmethylsulfonylmethyl)-1-ethyl-3-methylpyrazole is CCn1nc(C)cc1CS(=O)(=O)CC1CNC1.
What is the InChIKey of 5-(azetidin-3-ylmethylsulfonylmethyl)-1-ethyl-3-methylpyrazole?
The InChIKey is YKRUCHMKKZGELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-3-14-11(4-9(2)13-14)8-17(15,16)7-10-5-12-6-10/h4,10,12H,3,5-8H2,1-2H3.
What are the key properties of 5-(azetidin-3-ylmethylsulfonylmethyl)-1-ethyl-3-methylpyrazole?
5-(azetidin-3-ylmethylsulfonylmethyl)-1-ethyl-3-methylpyrazole has a molecular weight of 257.36 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-ylmethylsulfonylmethyl)-1-ethyl-3-methylpyrazole is sourced from PubChem (CID 81198093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).