3,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-amine

C11H20N4O2S — CID 147903550

IUPAC3,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-amine
SMILESCc1nn(C2CCN(S(C)(=O)=O)CC2)c(C)c1N
InChIInChI=1S/C11H20N4O2S/c1-8-11(12)9(2)15(13-8)10-4-6-14(7-5-10)18(3,16)17/h10H,4-7,12H2,1-3H3
InChIKeyIETBGKNPEOSWQL-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.68
Rot. Bonds2

About 3,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-amine

3,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-amine (PubChem CID 147903550) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 3,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-amine
PubChem CID147903550
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name3,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-amine
SMILESCc1nn(C2CCN(S(C)(=O)=O)CC2)c(C)c1N
InChIInChI=1S/C11H20N4O2S/c1-8-11(12)9(2)15(13-8)10-4-6-14(7-5-10)18(3,16)17/h10H,4-7,12H2,1-3H3
InChIKeyIETBGKNPEOSWQL-UHFFFAOYSA-N
XLogP0.68
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-amine (CID 147903550) is 3,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-amine is Cc1nn(C2CCN(S(C)(=O)=O)CC2)c(C)c1N.
What is the InChIKey of 3,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-amine?
The InChIKey is IETBGKNPEOSWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-8-11(12)9(2)15(13-8)10-4-6-14(7-5-10)18(3,16)17/h10H,4-7,12H2,1-3H3.
What are the key properties of 3,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-amine?
3,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-amine has a molecular weight of 272.37 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-amine is sourced from PubChem (CID 147903550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).