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

C11H18N4O4S — CID 61017871

IUPACmethyl 2-[4-(piperidin-1-ylsulfonylamino)pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1cc(NS(=O)(=O)N2CCCCC2)cn1
InChIInChI=1S/C11H18N4O4S/c1-19-11(16)9-14-8-10(7-12-14)13-20(17,18)15-5-3-2-4-6-15/h7-8,13H,2-6,9H2,1H3
InChIKeyIFIPOOVJQXDTRZ-UHFFFAOYSA-N
MW302.36 g/mol
LogP0.20
Rot. Bonds5

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

methyl 2-[4-(piperidin-1-ylsulfonylamino)pyrazol-1-yl]acetate (PubChem CID 61017871) has the molecular formula C11H18N4O4S and a molecular weight of 302.36 g/mol. Its IUPAC name is methyl 2-[4-(piperidin-1-ylsulfonylamino)pyrazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(piperidin-1-ylsulfonylamino)pyrazol-1-yl]acetate
PubChem CID61017871
Molecular FormulaC11H18N4O4S
Molecular Weight302.36 g/mol
Exact Mass302.10
IUPAC Namemethyl 2-[4-(piperidin-1-ylsulfonylamino)pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1cc(NS(=O)(=O)N2CCCCC2)cn1
InChIInChI=1S/C11H18N4O4S/c1-19-11(16)9-14-8-10(7-12-14)13-20(17,18)15-5-3-2-4-6-15/h7-8,13H,2-6,9H2,1H3
InChIKeyIFIPOOVJQXDTRZ-UHFFFAOYSA-N
XLogP0.20
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[4-[(3-methylpiperidin-1-yl)sulfonylamino]pyrazol-1-yl]acetate
CID 61017743
methyl 2-[4-(methanesulfonamido)pyrazol-1-yl]acetate
CID 61018002
methyl 4-[[1-(2-methoxy-2-oxoethyl)pyrazol-4-yl]sulfamoyl]butanoate
CID 61457309
methyl 2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetate
CID 47291837
methyl 2-[2-(azepan-1-ylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 43624502
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
2-[4-(2-methoxyethylsulfonylamino)pyrazol-1-yl]acetic acid
CID 55009982
methyl 2-[4-[[(2S)-oxolane-2-carbonyl]amino]pyrazol-1-yl]acetate
CID 93440590
methyl 2-[4-(3-methylsulfanylpropanoylamino)pyrazol-1-yl]acetate
CID 54904175
methyl 2-(4-propan-2-ylpyrazol-1-yl)acetate
CID 153333099
2-[4-(methanesulfonamido)pyrazol-1-yl]acetamide
CID 61062005

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(piperidin-1-ylsulfonylamino)pyrazol-1-yl]acetate?
The IUPAC name of methyl 2-[4-(piperidin-1-ylsulfonylamino)pyrazol-1-yl]acetate (CID 61017871) is methyl 2-[4-(piperidin-1-ylsulfonylamino)pyrazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(piperidin-1-ylsulfonylamino)pyrazol-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(piperidin-1-ylsulfonylamino)pyrazol-1-yl]acetate is COC(=O)Cn1cc(NS(=O)(=O)N2CCCCC2)cn1.
What is the InChIKey of methyl 2-[4-(piperidin-1-ylsulfonylamino)pyrazol-1-yl]acetate?
The InChIKey is IFIPOOVJQXDTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4S/c1-19-11(16)9-14-8-10(7-12-14)13-20(17,18)15-5-3-2-4-6-15/h7-8,13H,2-6,9H2,1H3.
What are the key properties of methyl 2-[4-(piperidin-1-ylsulfonylamino)pyrazol-1-yl]acetate?
methyl 2-[4-(piperidin-1-ylsulfonylamino)pyrazol-1-yl]acetate has a molecular weight of 302.36 g/mol, XLogP of 0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(piperidin-1-ylsulfonylamino)pyrazol-1-yl]acetate is sourced from PubChem (CID 61017871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).