1-(3-methylbutyl)-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine

C13H24N4O3S — CID 102826141

IUPAC1-(3-methylbutyl)-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine
SMILESCC(C)CCn1nc(N2CCOCC2)c(S(C)(=O)=O)c1N
InChIInChI=1S/C13H24N4O3S/c1-10(2)4-5-17-12(14)11(21(3,18)19)13(15-17)16-6-8-20-9-7-16/h10H,4-9,14H2,1-3H3
InChIKeyCGYIZIMAYUCBJS-UHFFFAOYSA-N
MW316.43 g/mol
LogP0.75
Rot. Bonds5

About 1-(3-methylbutyl)-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine

1-(3-methylbutyl)-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine (PubChem CID 102826141) has the molecular formula C13H24N4O3S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-(3-methylbutyl)-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-(3-methylbutyl)-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine
PubChem CID102826141
Molecular FormulaC13H24N4O3S
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC Name1-(3-methylbutyl)-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine
SMILESCC(C)CCn1nc(N2CCOCC2)c(S(C)(=O)=O)c1N
InChIInChI=1S/C13H24N4O3S/c1-10(2)4-5-17-12(14)11(21(3,18)19)13(15-17)16-6-8-20-9-7-16/h10H,4-9,14H2,1-3H3
InChIKeyCGYIZIMAYUCBJS-UHFFFAOYSA-N
XLogP0.75
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine?
The IUPAC name of 1-(3-methylbutyl)-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine (CID 102826141) is 1-(3-methylbutyl)-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine.
What is the SMILES notation for 1-(3-methylbutyl)-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine?
The canonical SMILES for 1-(3-methylbutyl)-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine is CC(C)CCn1nc(N2CCOCC2)c(S(C)(=O)=O)c1N.
What is the InChIKey of 1-(3-methylbutyl)-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine?
The InChIKey is CGYIZIMAYUCBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3S/c1-10(2)4-5-17-12(14)11(21(3,18)19)13(15-17)16-6-8-20-9-7-16/h10H,4-9,14H2,1-3H3.
What are the key properties of 1-(3-methylbutyl)-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine?
1-(3-methylbutyl)-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine has a molecular weight of 316.43 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine is sourced from PubChem (CID 102826141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).