1-methyl-4-(methylsulfonylmethoxy)pyrazole

C6H10N2O3S — CID 21465519

IUPAC1-methyl-4-(methylsulfonylmethoxy)pyrazole
SMILESCn1cc(OCS(C)(=O)=O)cn1
InChIInChI=1S/C6H10N2O3S/c1-8-4-6(3-7-8)11-5-12(2,9)10/h3-4H,5H2,1-2H3
InChIKeyYOSOZLNIXXJUJZ-UHFFFAOYSA-N
MW190.22 g/mol
LogP-0.20
Rot. Bonds3

About 1-methyl-4-(methylsulfonylmethoxy)pyrazole

1-methyl-4-(methylsulfonylmethoxy)pyrazole (PubChem CID 21465519) has the molecular formula C6H10N2O3S and a molecular weight of 190.22 g/mol. Its IUPAC name is 1-methyl-4-(methylsulfonylmethoxy)pyrazole.

Molecular Properties

Compound Name1-methyl-4-(methylsulfonylmethoxy)pyrazole
PubChem CID21465519
Molecular FormulaC6H10N2O3S
Molecular Weight190.22 g/mol
Exact Mass190.04
IUPAC Name1-methyl-4-(methylsulfonylmethoxy)pyrazole
SMILESCn1cc(OCS(C)(=O)=O)cn1
InChIInChI=1S/C6H10N2O3S/c1-8-4-6(3-7-8)11-5-12(2,9)10/h3-4H,5H2,1-2H3
InChIKeyYOSOZLNIXXJUJZ-UHFFFAOYSA-N
XLogP-0.20
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(1-methylpyrazol-4-yl)oxynonane-1-sulfonamide
CID 105343945
3-methyl-2-[(1-methylpyrazol-4-yl)oxymethyl]butane-1-sulfonamide
CID 116793914
2-methoxy-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethanamine
CID 116793733
1-methyl-4-(2-phenoxyethoxy)pyrazole
CID 115753034
4-(1-methylpyrazol-4-yl)oxybutane-1-thiol
CID 116794342
3,3-dimethyl-2-[(1-methylpyrazol-4-yl)oxymethyl]butane-1-sulfonamide
CID 116793917
[1-[(1-methylpyrazol-4-yl)oxymethyl]cyclopentyl]methanesulfonamide
CID 116793915
N-[2-[(3R,4R)-3-hydroxy-4-(1-methylpyrazol-4-yl)oxypyrrolidin-1-yl]ethyl]methanesulfonamide
CID 154800742
1-methyl-4-(2-propoxyethoxy)pyrazole
CID 106458442
1-methyl-4-phenylmethoxypyrazole
CID 84661432
N-[2-(1-methylpyrazol-4-yl)oxyethyl]cyclopentanamine
CID 116793724
3-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]butan-2-amine
CID 116793697

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(methylsulfonylmethoxy)pyrazole?
The IUPAC name of 1-methyl-4-(methylsulfonylmethoxy)pyrazole (CID 21465519) is 1-methyl-4-(methylsulfonylmethoxy)pyrazole.
What is the SMILES notation for 1-methyl-4-(methylsulfonylmethoxy)pyrazole?
The canonical SMILES for 1-methyl-4-(methylsulfonylmethoxy)pyrazole is Cn1cc(OCS(C)(=O)=O)cn1.
What is the InChIKey of 1-methyl-4-(methylsulfonylmethoxy)pyrazole?
The InChIKey is YOSOZLNIXXJUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3S/c1-8-4-6(3-7-8)11-5-12(2,9)10/h3-4H,5H2,1-2H3.
What are the key properties of 1-methyl-4-(methylsulfonylmethoxy)pyrazole?
1-methyl-4-(methylsulfonylmethoxy)pyrazole has a molecular weight of 190.22 g/mol, XLogP of -0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(methylsulfonylmethoxy)pyrazole is sourced from PubChem (CID 21465519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).