3-(azetidin-3-ylmethylsulfanylmethyl)-1-cyclohexylpyrazole

C14H23N3S — CID 66290739

IUPAC3-(azetidin-3-ylmethylsulfanylmethyl)-1-cyclohexylpyrazole
SMILESc1cn(C2CCCCC2)nc1CSCC1CNC1
InChIInChI=1S/C14H23N3S/c1-2-4-14(5-3-1)17-7-6-13(16-17)11-18-10-12-8-15-9-12/h6-7,12,14-15H,1-5,8-11H2
InChIKeyALKZAXYTJGVOLH-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.84
Rot. Bonds5

About 3-(azetidin-3-ylmethylsulfanylmethyl)-1-cyclohexylpyrazole

3-(azetidin-3-ylmethylsulfanylmethyl)-1-cyclohexylpyrazole (PubChem CID 66290739) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 3-(azetidin-3-ylmethylsulfanylmethyl)-1-cyclohexylpyrazole.

Molecular Properties

Compound Name3-(azetidin-3-ylmethylsulfanylmethyl)-1-cyclohexylpyrazole
PubChem CID66290739
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name3-(azetidin-3-ylmethylsulfanylmethyl)-1-cyclohexylpyrazole
SMILESc1cn(C2CCCCC2)nc1CSCC1CNC1
InChIInChI=1S/C14H23N3S/c1-2-4-14(5-3-1)17-7-6-13(16-17)11-18-10-12-8-15-9-12/h6-7,12,14-15H,1-5,8-11H2
InChIKeyALKZAXYTJGVOLH-UHFFFAOYSA-N
XLogP2.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]propan-1-amine
CID 66218804
1-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]propan-2-amine
CID 66217471
3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]propan-1-amine
CID 66217324
3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]propane-1,2-diol
CID 79682458
1-cyclohexyl-3-ethylpyrazole
CID 66014335
1-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]butan-2-amine
CID 66227990
2-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenol
CID 64779027
1-cyclopentyl-3-(pyrrolidin-3-ylmethoxymethyl)pyrazole
CID 64783422
3-(2-chloroethyl)-1-cyclohexylpyrazole
CID 130480552
1-[(1-cyclohexylpyrazol-3-yl)methyl]piperazine-2,6-dione
CID 66062253
3-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]butan-1-ol
CID 66138390
5-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66209789

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-ylmethylsulfanylmethyl)-1-cyclohexylpyrazole?
The IUPAC name of 3-(azetidin-3-ylmethylsulfanylmethyl)-1-cyclohexylpyrazole (CID 66290739) is 3-(azetidin-3-ylmethylsulfanylmethyl)-1-cyclohexylpyrazole.
What is the SMILES notation for 3-(azetidin-3-ylmethylsulfanylmethyl)-1-cyclohexylpyrazole?
The canonical SMILES for 3-(azetidin-3-ylmethylsulfanylmethyl)-1-cyclohexylpyrazole is c1cn(C2CCCCC2)nc1CSCC1CNC1.
What is the InChIKey of 3-(azetidin-3-ylmethylsulfanylmethyl)-1-cyclohexylpyrazole?
The InChIKey is ALKZAXYTJGVOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-2-4-14(5-3-1)17-7-6-13(16-17)11-18-10-12-8-15-9-12/h6-7,12,14-15H,1-5,8-11H2.
What are the key properties of 3-(azetidin-3-ylmethylsulfanylmethyl)-1-cyclohexylpyrazole?
3-(azetidin-3-ylmethylsulfanylmethyl)-1-cyclohexylpyrazole has a molecular weight of 265.43 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-ylmethylsulfanylmethyl)-1-cyclohexylpyrazole is sourced from PubChem (CID 66290739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).