1-tert-butyl-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine

C12H22N4O3S — CID 102825657

IUPAC1-tert-butyl-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine
SMILESCC(C)(C)n1nc(N2CCOCC2)c(S(C)(=O)=O)c1N
InChIInChI=1S/C12H22N4O3S/c1-12(2,3)16-10(13)9(20(4,17)18)11(14-16)15-5-7-19-8-6-15/h5-8,13H2,1-4H3
InChIKeyLVLQFVFLZQBAGU-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.46
Rot. Bonds2

About 1-tert-butyl-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine

1-tert-butyl-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine (PubChem CID 102825657) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-tert-butyl-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-tert-butyl-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine
PubChem CID102825657
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC Name1-tert-butyl-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine
SMILESCC(C)(C)n1nc(N2CCOCC2)c(S(C)(=O)=O)c1N
InChIInChI=1S/C12H22N4O3S/c1-12(2,3)16-10(13)9(20(4,17)18)11(14-16)15-5-7-19-8-6-15/h5-8,13H2,1-4H3
InChIKeyLVLQFVFLZQBAGU-UHFFFAOYSA-N
XLogP0.46
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine?
The IUPAC name of 1-tert-butyl-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine (CID 102825657) is 1-tert-butyl-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine.
What is the SMILES notation for 1-tert-butyl-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine?
The canonical SMILES for 1-tert-butyl-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine is CC(C)(C)n1nc(N2CCOCC2)c(S(C)(=O)=O)c1N.
What is the InChIKey of 1-tert-butyl-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine?
The InChIKey is LVLQFVFLZQBAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-12(2,3)16-10(13)9(20(4,17)18)11(14-16)15-5-7-19-8-6-15/h5-8,13H2,1-4H3.
What are the key properties of 1-tert-butyl-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine?
1-tert-butyl-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine has a molecular weight of 302.40 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine is sourced from PubChem (CID 102825657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).