1-ethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-3-amine

C11H20N4O2S — CID 60814183

IUPAC1-ethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-3-amine
SMILESCCn1cc(S(=O)(=O)N2CCCCC2C)c(N)n1
InChIInChI=1S/C11H20N4O2S/c1-3-14-8-10(11(12)13-14)18(16,17)15-7-5-4-6-9(15)2/h8-9H,3-7H2,1-2H3,(H2,12,13)
InChIKeyVDAYWAHMKGOARV-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.05
Rot. Bonds3

About 1-ethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-3-amine

1-ethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-3-amine (PubChem CID 60814183) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-ethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-3-amine.

Molecular Properties

Compound Name1-ethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-3-amine
PubChem CID60814183
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name1-ethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-3-amine
SMILESCCn1cc(S(=O)(=O)N2CCCCC2C)c(N)n1
InChIInChI=1S/C11H20N4O2S/c1-3-14-8-10(11(12)13-14)18(16,17)15-7-5-4-6-9(15)2/h8-9H,3-7H2,1-2H3,(H2,12,13)
InChIKeyVDAYWAHMKGOARV-UHFFFAOYSA-N
XLogP1.05
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-N-methylpiperidine-2-carboxamide
CID 61112044
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-1-ethylpyrazol-3-amine
CID 65318955
3-amino-N-cyclopentyl-1-ethyl-N-methylpyrazole-4-sulfonamide
CID 60808791
3-amino-N-cyclopentyl-N,1-diethylpyrazole-4-sulfonamide
CID 54922474
4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-1-propylpyrazol-3-amine
CID 102882361
3-amino-N-cyclooctyl-1-ethylpyrazole-4-sulfonamide
CID 60808927
3-amino-1-ethyl-N-piperidin-1-ylpyrazole-4-sulfonamide
CID 83012354
2-[1-(3-amino-1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide
CID 61138398
1-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyrazol-3-amine
CID 64569008
3-amino-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-4-sulfonamide
CID 63242904
1-ethyl-4-(1,4-oxazepan-4-ylsulfonyl)pyrazol-3-amine
CID 62986717
1-ethyl-4-(3-propoxypiperidin-1-yl)sulfonylpyrazol-3-amine
CID 61170930

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-3-amine?
The IUPAC name of 1-ethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-3-amine (CID 60814183) is 1-ethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-3-amine.
What is the SMILES notation for 1-ethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-3-amine?
The canonical SMILES for 1-ethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-3-amine is CCn1cc(S(=O)(=O)N2CCCCC2C)c(N)n1.
What is the InChIKey of 1-ethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-3-amine?
The InChIKey is VDAYWAHMKGOARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-3-14-8-10(11(12)13-14)18(16,17)15-7-5-4-6-9(15)2/h8-9H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of 1-ethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-3-amine?
1-ethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-3-amine has a molecular weight of 272.37 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-3-amine is sourced from PubChem (CID 60814183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).