ethyl 2-[5-amino-3-(dimethylamino)-4-methylsulfonylpyrazol-1-yl]acetate

C10H18N4O4S — CID 102826279

IUPACethyl 2-[5-amino-3-(dimethylamino)-4-methylsulfonylpyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(N(C)C)c(S(C)(=O)=O)c1N
InChIInChI=1S/C10H18N4O4S/c1-5-18-7(15)6-14-9(11)8(19(4,16)17)10(12-14)13(2)3/h5-6,11H2,1-4H3
InChIKeyVKBQUGBOGGLUNO-UHFFFAOYSA-N
MW290.35 g/mol
LogP-0.50
Rot. Bonds5

About ethyl 2-[5-amino-3-(dimethylamino)-4-methylsulfonylpyrazol-1-yl]acetate

ethyl 2-[5-amino-3-(dimethylamino)-4-methylsulfonylpyrazol-1-yl]acetate (PubChem CID 102826279) has the molecular formula C10H18N4O4S and a molecular weight of 290.35 g/mol. Its IUPAC name is ethyl 2-[5-amino-3-(dimethylamino)-4-methylsulfonylpyrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-amino-3-(dimethylamino)-4-methylsulfonylpyrazol-1-yl]acetate
PubChem CID102826279
Molecular FormulaC10H18N4O4S
Molecular Weight290.35 g/mol
Exact Mass290.10
IUPAC Nameethyl 2-[5-amino-3-(dimethylamino)-4-methylsulfonylpyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(N(C)C)c(S(C)(=O)=O)c1N
InChIInChI=1S/C10H18N4O4S/c1-5-18-7(15)6-14-9(11)8(19(4,16)17)10(12-14)13(2)3/h5-6,11H2,1-4H3
InChIKeyVKBQUGBOGGLUNO-UHFFFAOYSA-N
XLogP-0.50
TPSA107.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-amino-3-(dimethylamino)-4-methylsulfonylpyrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[5-amino-3-(dimethylamino)-4-methylsulfonylpyrazol-1-yl]acetate (CID 102826279) is ethyl 2-[5-amino-3-(dimethylamino)-4-methylsulfonylpyrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[5-amino-3-(dimethylamino)-4-methylsulfonylpyrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[5-amino-3-(dimethylamino)-4-methylsulfonylpyrazol-1-yl]acetate is CCOC(=O)Cn1nc(N(C)C)c(S(C)(=O)=O)c1N.
What is the InChIKey of ethyl 2-[5-amino-3-(dimethylamino)-4-methylsulfonylpyrazol-1-yl]acetate?
The InChIKey is VKBQUGBOGGLUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4S/c1-5-18-7(15)6-14-9(11)8(19(4,16)17)10(12-14)13(2)3/h5-6,11H2,1-4H3.
What are the key properties of ethyl 2-[5-amino-3-(dimethylamino)-4-methylsulfonylpyrazol-1-yl]acetate?
ethyl 2-[5-amino-3-(dimethylamino)-4-methylsulfonylpyrazol-1-yl]acetate has a molecular weight of 290.35 g/mol, XLogP of -0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-amino-3-(dimethylamino)-4-methylsulfonylpyrazol-1-yl]acetate is sourced from PubChem (CID 102826279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).