2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide

C15H27N5O2 — CID 51104825

IUPAC2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide
SMILESCC(NCc1c(C(C)C)nn(C)c1N1CCOCC1)C(N)=O
InChIInChI=1S/C15H27N5O2/c1-10(2)13-12(9-17-11(3)14(16)21)15(19(4)18-13)20-5-7-22-8-6-20/h10-11,17H,5-9H2,1-4H3,(H2,16,21)
InChIKeyDAWJTKACCUHVQH-UHFFFAOYSA-N
MW309.41 g/mol
LogP0.34
Rot. Bonds6

About 2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide

2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide (PubChem CID 51104825) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound Name2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide
PubChem CID51104825
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC Name2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide
SMILESCC(NCc1c(C(C)C)nn(C)c1N1CCOCC1)C(N)=O
InChIInChI=1S/C15H27N5O2/c1-10(2)13-12(9-17-11(3)14(16)21)15(19(4)18-13)20-5-7-22-8-6-20/h10-11,17H,5-9H2,1-4H3,(H2,16,21)
InChIKeyDAWJTKACCUHVQH-UHFFFAOYSA-N
XLogP0.34
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide?
The IUPAC name of 2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide (CID 51104825) is 2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide.
What is the SMILES notation for 2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide?
The canonical SMILES for 2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide is CC(NCc1c(C(C)C)nn(C)c1N1CCOCC1)C(N)=O.
What is the InChIKey of 2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide?
The InChIKey is DAWJTKACCUHVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2/c1-10(2)13-12(9-17-11(3)14(16)21)15(19(4)18-13)20-5-7-22-8-6-20/h10-11,17H,5-9H2,1-4H3,(H2,16,21).
What are the key properties of 2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide?
2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide has a molecular weight of 309.41 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 51104825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).