1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one

C15H21N5O2 — CID 110105060

IUPAC1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
SMILESCc1ccn(CCC(=O)N2CCOC(c3ncc(C)[nH]3)C2)n1
InChIInChI=1S/C15H21N5O2/c1-11-3-5-20(18-11)6-4-14(21)19-7-8-22-13(10-19)15-16-9-12(2)17-15/h3,5,9,13H,4,6-8,10H2,1-2H3,(H,16,17)
InChIKeyGHZKZOBVXMLHBG-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.21
Rot. Bonds4

About 1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one

1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one (PubChem CID 110105060) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
PubChem CID110105060
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
SMILESCc1ccn(CCC(=O)N2CCOC(c3ncc(C)[nH]3)C2)n1
InChIInChI=1S/C15H21N5O2/c1-11-3-5-20(18-11)6-4-14(21)19-7-8-22-13(10-19)15-16-9-12(2)17-15/h3,5,9,13H,4,6-8,10H2,1-2H3,(H,16,17)
InChIKeyGHZKZOBVXMLHBG-UHFFFAOYSA-N
XLogP1.21
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one (CID 110105060) is 1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one is Cc1ccn(CCC(=O)N2CCOC(c3ncc(C)[nH]3)C2)n1.
What is the InChIKey of 1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one?
The InChIKey is GHZKZOBVXMLHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-11-3-5-20(18-11)6-4-14(21)19-7-8-22-13(10-19)15-16-9-12(2)17-15/h3,5,9,13H,4,6-8,10H2,1-2H3,(H,16,17).
What are the key properties of 1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one?
1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one has a molecular weight of 303.37 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 110105060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).