5-(azetidin-3-ylmethylsulfanylmethyl)-1,3-diethylpyrazole

C12H21N3S — CID 66289931

IUPAC5-(azetidin-3-ylmethylsulfanylmethyl)-1,3-diethylpyrazole
SMILESCCc1cc(CSCC2CNC2)n(CC)n1
InChIInChI=1S/C12H21N3S/c1-3-11-5-12(15(4-2)14-11)9-16-8-10-6-13-7-10/h5,10,13H,3-4,6-9H2,1-2H3
InChIKeyOFFMXISCMWUBOE-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.92
Rot. Bonds6

About 5-(azetidin-3-ylmethylsulfanylmethyl)-1,3-diethylpyrazole

5-(azetidin-3-ylmethylsulfanylmethyl)-1,3-diethylpyrazole (PubChem CID 66289931) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 5-(azetidin-3-ylmethylsulfanylmethyl)-1,3-diethylpyrazole.

Molecular Properties

Compound Name5-(azetidin-3-ylmethylsulfanylmethyl)-1,3-diethylpyrazole
PubChem CID66289931
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name5-(azetidin-3-ylmethylsulfanylmethyl)-1,3-diethylpyrazole
SMILESCCc1cc(CSCC2CNC2)n(CC)n1
InChIInChI=1S/C12H21N3S/c1-3-11-5-12(15(4-2)14-11)9-16-8-10-6-13-7-10/h5,10,13H,3-4,6-9H2,1-2H3
InChIKeyOFFMXISCMWUBOE-UHFFFAOYSA-N
XLogP1.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(azetidin-3-ylmethylsulfanylmethyl)-1,3-diethylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(azetidin-3-yl)ethyl]-3,5-diethylpyrazole
CID 107391392
4-[(1,3-diethylpyrazol-5-yl)methyl]-2,6-dimethylpiperidine
CID 114272276
2-(azetidin-3-ylmethylsulfanylmethyl)-5-ethyl-1,3,4-oxadiazole
CID 66288464
(2R)-1-[(1,3-diethylpyrazol-5-yl)methyl]-2-methylpiperazine
CID 82755426
7-(azetidin-3-ylmethylsulfanylmethyl)-2-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 66290331
1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethylpyrazole
CID 82699372
1-[(1,3-diethylpyrazol-5-yl)methyl]piperazine-2,6-dione
CID 66062447
3-[2-(1,3-diethylpyrazol-5-yl)-1-fluoroethyl]piperidine
CID 112565553
1-(1,3-diethylpyrazol-5-yl)-3-piperidin-4-yloxypropan-2-one
CID 116571150
3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-5-methylpiperidine
CID 106780178
1,3-diethyl-5-[(3-fluoropyrrolidin-3-yl)methyl]pyrazole
CID 112564455
N-(azetidin-3-yl)-1,3-diethylpyrazole-5-carboxamide
CID 66187940

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-ylmethylsulfanylmethyl)-1,3-diethylpyrazole?
The IUPAC name of 5-(azetidin-3-ylmethylsulfanylmethyl)-1,3-diethylpyrazole (CID 66289931) is 5-(azetidin-3-ylmethylsulfanylmethyl)-1,3-diethylpyrazole.
What is the SMILES notation for 5-(azetidin-3-ylmethylsulfanylmethyl)-1,3-diethylpyrazole?
The canonical SMILES for 5-(azetidin-3-ylmethylsulfanylmethyl)-1,3-diethylpyrazole is CCc1cc(CSCC2CNC2)n(CC)n1.
What is the InChIKey of 5-(azetidin-3-ylmethylsulfanylmethyl)-1,3-diethylpyrazole?
The InChIKey is OFFMXISCMWUBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-3-11-5-12(15(4-2)14-11)9-16-8-10-6-13-7-10/h5,10,13H,3-4,6-9H2,1-2H3.
What are the key properties of 5-(azetidin-3-ylmethylsulfanylmethyl)-1,3-diethylpyrazole?
5-(azetidin-3-ylmethylsulfanylmethyl)-1,3-diethylpyrazole has a molecular weight of 239.39 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-ylmethylsulfanylmethyl)-1,3-diethylpyrazole is sourced from PubChem (CID 66289931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).