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

C14H18N4O4S — CID 166395251

IUPACmethyl 2-[4-[1-(2-methyl-4-pyridinyl)ethylsulfamoyl]pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1cc(S(=O)(=O)NC(C)c2ccnc(C)c2)cn1
InChIInChI=1S/C14H18N4O4S/c1-10-6-12(4-5-15-10)11(2)17-23(20,21)13-7-16-18(8-13)9-14(19)22-3/h4-8,11,17H,9H2,1-3H3
InChIKeyYBUQVFXRGVYERO-UHFFFAOYSA-N
MW338.39 g/mol
LogP0.80
Rot. Bonds6

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

methyl 2-[4-[1-(2-methyl-4-pyridinyl)ethylsulfamoyl]pyrazol-1-yl]acetate (PubChem CID 166395251) has the molecular formula C14H18N4O4S and a molecular weight of 338.39 g/mol. Its IUPAC name is methyl 2-[4-[1-(2-methyl-4-pyridinyl)ethylsulfamoyl]pyrazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[1-(2-methyl-4-pyridinyl)ethylsulfamoyl]pyrazol-1-yl]acetate
PubChem CID166395251
Molecular FormulaC14H18N4O4S
Molecular Weight338.39 g/mol
Exact Mass338.10
IUPAC Namemethyl 2-[4-[1-(2-methyl-4-pyridinyl)ethylsulfamoyl]pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1cc(S(=O)(=O)NC(C)c2ccnc(C)c2)cn1
InChIInChI=1S/C14H18N4O4S/c1-10-6-12(4-5-15-10)11(2)17-23(20,21)13-7-16-18(8-13)9-14(19)22-3/h4-8,11,17H,9H2,1-3H3
InChIKeyYBUQVFXRGVYERO-UHFFFAOYSA-N
XLogP0.80
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[1-(2-methyl-4-pyridinyl)ethylsulfamoyl]pyrazol-1-yl]acetate?
The IUPAC name of methyl 2-[4-[1-(2-methyl-4-pyridinyl)ethylsulfamoyl]pyrazol-1-yl]acetate (CID 166395251) is methyl 2-[4-[1-(2-methyl-4-pyridinyl)ethylsulfamoyl]pyrazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[1-(2-methyl-4-pyridinyl)ethylsulfamoyl]pyrazol-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[1-(2-methyl-4-pyridinyl)ethylsulfamoyl]pyrazol-1-yl]acetate is COC(=O)Cn1cc(S(=O)(=O)NC(C)c2ccnc(C)c2)cn1.
What is the InChIKey of methyl 2-[4-[1-(2-methyl-4-pyridinyl)ethylsulfamoyl]pyrazol-1-yl]acetate?
The InChIKey is YBUQVFXRGVYERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4S/c1-10-6-12(4-5-15-10)11(2)17-23(20,21)13-7-16-18(8-13)9-14(19)22-3/h4-8,11,17H,9H2,1-3H3.
What are the key properties of methyl 2-[4-[1-(2-methyl-4-pyridinyl)ethylsulfamoyl]pyrazol-1-yl]acetate?
methyl 2-[4-[1-(2-methyl-4-pyridinyl)ethylsulfamoyl]pyrazol-1-yl]acetate has a molecular weight of 338.39 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[1-(2-methyl-4-pyridinyl)ethylsulfamoyl]pyrazol-1-yl]acetate is sourced from PubChem (CID 166395251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).