4-(azetidin-3-ylmethylsulfonylmethyl)-1-methylpyrazole

C9H15N3O2S — CID 81197067

IUPAC4-(azetidin-3-ylmethylsulfonylmethyl)-1-methylpyrazole
SMILESCn1cc(CS(=O)(=O)CC2CNC2)cn1
InChIInChI=1S/C9H15N3O2S/c1-12-5-9(4-11-12)7-15(13,14)6-8-2-10-3-8/h4-5,8,10H,2-3,6-7H2,1H3
InChIKeyZEDCYVJLAQGDFA-UHFFFAOYSA-N
MW229.30 g/mol
LogP-0.45
Rot. Bonds4

About 4-(azetidin-3-ylmethylsulfonylmethyl)-1-methylpyrazole

4-(azetidin-3-ylmethylsulfonylmethyl)-1-methylpyrazole (PubChem CID 81197067) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 4-(azetidin-3-ylmethylsulfonylmethyl)-1-methylpyrazole.

Molecular Properties

Compound Name4-(azetidin-3-ylmethylsulfonylmethyl)-1-methylpyrazole
PubChem CID81197067
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name4-(azetidin-3-ylmethylsulfonylmethyl)-1-methylpyrazole
SMILESCn1cc(CS(=O)(=O)CC2CNC2)cn1
InChIInChI=1S/C9H15N3O2S/c1-12-5-9(4-11-12)7-15(13,14)6-8-2-10-3-8/h4-5,8,10H,2-3,6-7H2,1H3
InChIKeyZEDCYVJLAQGDFA-UHFFFAOYSA-N
XLogP-0.45
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[(1-methylpyrazol-4-yl)methylsulfonyl]propan-1-amine
CID 81202080
(3aR,6aS)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120660803
4-(2-benzylsulfonylethyl)-1-methylpyrazole
CID 126828701
5-(difluoromethyl)-1-methyl-4-[(1-methylpyrazol-4-yl)methylsulfonylmethyl]triazole
CID 166373207
2-(azetidin-3-yl)-1-(1-methylpyrazol-4-yl)ethanone
CID 116582203
1-methyl-4-(pyrrolidin-3-ylmethoxymethyl)pyrazole
CID 62371587
4-[(4-chloro-3-methoxyphenyl)methylsulfonylmethyl]-1-methylpyrazole
CID 167814352
3-[(1-methylpyrazol-4-yl)methylsulfonyl]butanoic acid
CID 66115922
1-[2-(azetidin-3-yl)ethyl]-4-ethylpyrazole
CID 84768017
N-[(1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide
CID 47373259
1-chloro-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide
CID 63665817
3-[(1-methylpyrazol-4-yl)methoxymethyl]piperidine
CID 62340735

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-ylmethylsulfonylmethyl)-1-methylpyrazole?
The IUPAC name of 4-(azetidin-3-ylmethylsulfonylmethyl)-1-methylpyrazole (CID 81197067) is 4-(azetidin-3-ylmethylsulfonylmethyl)-1-methylpyrazole.
What is the SMILES notation for 4-(azetidin-3-ylmethylsulfonylmethyl)-1-methylpyrazole?
The canonical SMILES for 4-(azetidin-3-ylmethylsulfonylmethyl)-1-methylpyrazole is Cn1cc(CS(=O)(=O)CC2CNC2)cn1.
What is the InChIKey of 4-(azetidin-3-ylmethylsulfonylmethyl)-1-methylpyrazole?
The InChIKey is ZEDCYVJLAQGDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-12-5-9(4-11-12)7-15(13,14)6-8-2-10-3-8/h4-5,8,10H,2-3,6-7H2,1H3.
What are the key properties of 4-(azetidin-3-ylmethylsulfonylmethyl)-1-methylpyrazole?
4-(azetidin-3-ylmethylsulfonylmethyl)-1-methylpyrazole has a molecular weight of 229.30 g/mol, XLogP of -0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-ylmethylsulfonylmethyl)-1-methylpyrazole is sourced from PubChem (CID 81197067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).