4-methoxy-1-methylsulfonylpyrazole

C5H8N2O3S — CID 169095064

IUPAC4-methoxy-1-methylsulfonylpyrazole
SMILESCOc1cnn(S(C)(=O)=O)c1
InChIInChI=1S/C5H8N2O3S/c1-10-5-3-6-7(4-5)11(2,8)9/h3-4H,1-2H3
InChIKeyCWSWOALVYWCNFP-UHFFFAOYSA-N
MW176.20 g/mol
LogP-0.30
Rot. Bonds2

About 4-methoxy-1-methylsulfonylpyrazole

4-methoxy-1-methylsulfonylpyrazole (PubChem CID 169095064) has the molecular formula C5H8N2O3S and a molecular weight of 176.20 g/mol. Its IUPAC name is 4-methoxy-1-methylsulfonylpyrazole.

Molecular Properties

Compound Name4-methoxy-1-methylsulfonylpyrazole
PubChem CID169095064
Molecular FormulaC5H8N2O3S
Molecular Weight176.20 g/mol
Exact Mass176.03
IUPAC Name4-methoxy-1-methylsulfonylpyrazole
SMILESCOc1cnn(S(C)(=O)=O)c1
InChIInChI=1S/C5H8N2O3S/c1-10-5-3-6-7(4-5)11(2,8)9/h3-4H,1-2H3
InChIKeyCWSWOALVYWCNFP-UHFFFAOYSA-N
XLogP-0.30
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Methoxypyrazol-1-yl) thiohypofluorite
CID 145695999
1-Methyl-4-(methylsulfonylmethoxy)pyrazole
CID 21465519
4-methoxy-N,N-dimethyl-1H-pyrazole-1-sulfonamide
CID 118962275
1-Bromo-4-methoxypyrazole
CID 145425644
Potassium 4-methoxypyrazol-1-ide
CID 177982185
1-Methylsulfonyl-4-prop-2-enoxypyrazole
CID 101959849
1-Methanesulfonyl-1H-pyrazol-4-ol
CID 133083285
1-Ethanesulfonyl-1H-pyrazol-4-ol
CID 133083286
2-((1-(Ethylsulfonyl)-1H-pyrazol-4-yl)oxy)ethan-1-amine hydrochloride
CID 164885779
2-(1-Ethylsulfonylpyrazol-4-yl)oxyethanamine
CID 164885780
2-((1-(Isopropylsulfonyl)-1H-pyrazol-4-yl)oxy)ethan-1-amine hydrochloride
CID 164885785
2-(1-Propan-2-ylsulfonylpyrazol-4-yl)oxyethanamine
CID 164885786

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methylsulfonylpyrazole?
The IUPAC name of 4-methoxy-1-methylsulfonylpyrazole (CID 169095064) is 4-methoxy-1-methylsulfonylpyrazole.
What is the SMILES notation for 4-methoxy-1-methylsulfonylpyrazole?
The canonical SMILES for 4-methoxy-1-methylsulfonylpyrazole is COc1cnn(S(C)(=O)=O)c1.
What is the InChIKey of 4-methoxy-1-methylsulfonylpyrazole?
The InChIKey is CWSWOALVYWCNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3S/c1-10-5-3-6-7(4-5)11(2,8)9/h3-4H,1-2H3.
What are the key properties of 4-methoxy-1-methylsulfonylpyrazole?
4-methoxy-1-methylsulfonylpyrazole has a molecular weight of 176.20 g/mol, XLogP of -0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methylsulfonylpyrazole is sourced from PubChem (CID 169095064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).