methyl 2-[4-(methanesulfonamido)pyrazol-1-yl]acetate

C7H11N3O4S — CID 61018002

IUPACmethyl 2-[4-(methanesulfonamido)pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1cc(NS(C)(=O)=O)cn1
InChIInChI=1S/C7H11N3O4S/c1-14-7(11)5-10-4-6(3-8-10)9-15(2,12)13/h3-4,9H,5H2,1-2H3
InChIKeyKEIPHTLRLBOHFY-UHFFFAOYSA-N
MW233.25 g/mol
LogP-0.57
Rot. Bonds4

About methyl 2-[4-(methanesulfonamido)pyrazol-1-yl]acetate

methyl 2-[4-(methanesulfonamido)pyrazol-1-yl]acetate (PubChem CID 61018002) has the molecular formula C7H11N3O4S and a molecular weight of 233.25 g/mol. Its IUPAC name is methyl 2-[4-(methanesulfonamido)pyrazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(methanesulfonamido)pyrazol-1-yl]acetate
PubChem CID61018002
Molecular FormulaC7H11N3O4S
Molecular Weight233.25 g/mol
Exact Mass233.05
IUPAC Namemethyl 2-[4-(methanesulfonamido)pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1cc(NS(C)(=O)=O)cn1
InChIInChI=1S/C7H11N3O4S/c1-14-7(11)5-10-4-6(3-8-10)9-15(2,12)13/h3-4,9H,5H2,1-2H3
InChIKeyKEIPHTLRLBOHFY-UHFFFAOYSA-N
XLogP-0.57
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(methanesulfonamido)pyrazol-1-yl]acetamide
CID 61062005
methyl 4-[[1-(2-methoxy-2-oxoethyl)pyrazol-4-yl]sulfamoyl]butanoate
CID 61457309
methyl 2-[4-(piperidin-1-ylsulfonylamino)pyrazol-1-yl]acetate
CID 61017871
methyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pyrazol-1-yl]acetate
CID 61018522
methyl 2-[4-[(5-ethylthiophen-2-yl)sulfonylamino]pyrazol-1-yl]acetate
CID 61061458
methyl 2-[4-[(3-methylpiperidin-1-yl)sulfonylamino]pyrazol-1-yl]acetate
CID 61017743
methyl 2-[4-(3-methylsulfanylpropanoylamino)pyrazol-1-yl]acetate
CID 54904175
methyl 2-(4-propan-2-ylpyrazol-1-yl)acetate
CID 153333099
2-[4-(2-methoxyethylsulfonylamino)pyrazol-1-yl]acetic acid
CID 55009982
methyl 2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetate
CID 47291837
methyl 2-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetate
CID 47292002
methyl 2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetate
CID 54904242

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(methanesulfonamido)pyrazol-1-yl]acetate?
The IUPAC name of methyl 2-[4-(methanesulfonamido)pyrazol-1-yl]acetate (CID 61018002) is methyl 2-[4-(methanesulfonamido)pyrazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(methanesulfonamido)pyrazol-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(methanesulfonamido)pyrazol-1-yl]acetate is COC(=O)Cn1cc(NS(C)(=O)=O)cn1.
What is the InChIKey of methyl 2-[4-(methanesulfonamido)pyrazol-1-yl]acetate?
The InChIKey is KEIPHTLRLBOHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O4S/c1-14-7(11)5-10-4-6(3-8-10)9-15(2,12)13/h3-4,9H,5H2,1-2H3.
What are the key properties of methyl 2-[4-(methanesulfonamido)pyrazol-1-yl]acetate?
methyl 2-[4-(methanesulfonamido)pyrazol-1-yl]acetate has a molecular weight of 233.25 g/mol, XLogP of -0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(methanesulfonamido)pyrazol-1-yl]acetate is sourced from PubChem (CID 61018002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).