5-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine

C13H24N4O — CID 66029643

IUPAC5-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)c(N2CC(C)OC(C)C2)c1N
InChIInChI=1S/C13H24N4O/c1-8(2)17-13(12(14)11(5)15-17)16-6-9(3)18-10(4)7-16/h8-10H,6-7,14H2,1-5H3
InChIKeyHLFAOCVIBUHEED-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.97
Rot. Bonds2

About 5-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine

5-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine (PubChem CID 66029643) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name5-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine
PubChem CID66029643
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name5-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)c(N2CC(C)OC(C)C2)c1N
InChIInChI=1S/C13H24N4O/c1-8(2)17-13(12(14)11(5)15-17)16-6-9(3)18-10(4)7-16/h8-10H,6-7,14H2,1-5H3
InChIKeyHLFAOCVIBUHEED-UHFFFAOYSA-N
XLogP1.97
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of 5-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine (CID 66029643) is 5-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 5-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 5-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine is Cc1nn(C(C)C)c(N2CC(C)OC(C)C2)c1N.
What is the InChIKey of 5-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine?
The InChIKey is HLFAOCVIBUHEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-8(2)17-13(12(14)11(5)15-17)16-6-9(3)18-10(4)7-16/h8-10H,6-7,14H2,1-5H3.
What are the key properties of 5-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine?
5-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine has a molecular weight of 252.36 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 66029643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).