1-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyrazol-3-amine

C11H20N4O3S — CID 64569008

IUPAC1-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyrazol-3-amine
SMILESCCn1cc(S(=O)(=O)N2CCC(COC)C2)c(N)n1
InChIInChI=1S/C11H20N4O3S/c1-3-14-7-10(11(12)13-14)19(16,17)15-5-4-9(6-15)8-18-2/h7,9H,3-6,8H2,1-2H3,(H2,12,13)
InChIKeyGJXHCIGIYLTARA-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.14
Rot. Bonds5

About 1-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyrazol-3-amine

1-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyrazol-3-amine (PubChem CID 64569008) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyrazol-3-amine.

Molecular Properties

Compound Name1-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyrazol-3-amine
PubChem CID64569008
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name1-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyrazol-3-amine
SMILESCCn1cc(S(=O)(=O)N2CCC(COC)C2)c(N)n1
InChIInChI=1S/C11H20N4O3S/c1-3-14-7-10(11(12)13-14)19(16,17)15-5-4-9(6-15)8-18-2/h7,9H,3-6,8H2,1-2H3,(H2,12,13)
InChIKeyGJXHCIGIYLTARA-UHFFFAOYSA-N
XLogP0.14
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyrazol-3-amine?
The IUPAC name of 1-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyrazol-3-amine (CID 64569008) is 1-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyrazol-3-amine.
What is the SMILES notation for 1-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyrazol-3-amine?
The canonical SMILES for 1-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyrazol-3-amine is CCn1cc(S(=O)(=O)N2CCC(COC)C2)c(N)n1.
What is the InChIKey of 1-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyrazol-3-amine?
The InChIKey is GJXHCIGIYLTARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-3-14-7-10(11(12)13-14)19(16,17)15-5-4-9(6-15)8-18-2/h7,9H,3-6,8H2,1-2H3,(H2,12,13).
What are the key properties of 1-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyrazol-3-amine?
1-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyrazol-3-amine has a molecular weight of 288.37 g/mol, XLogP of 0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyrazol-3-amine is sourced from PubChem (CID 64569008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).