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

C14H19N5O2 — CID 110105368

IUPAC1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone
SMILESCc1cnn(CC(=O)N2CCOCC2c2ncc(C)[nH]2)c1
InChIInChI=1S/C14H19N5O2/c1-10-5-16-18(7-10)8-13(20)19-3-4-21-9-12(19)14-15-6-11(2)17-14/h5-7,12H,3-4,8-9H2,1-2H3,(H,15,17)
InChIKeyUVCADBVKJRTOPC-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.82
Rot. Bonds3

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

1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone (PubChem CID 110105368) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone
PubChem CID110105368
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone
SMILESCc1cnn(CC(=O)N2CCOCC2c2ncc(C)[nH]2)c1
InChIInChI=1S/C14H19N5O2/c1-10-5-16-18(7-10)8-13(20)19-3-4-21-9-12(19)14-15-6-11(2)17-14/h5-7,12H,3-4,8-9H2,1-2H3,(H,15,17)
InChIKeyUVCADBVKJRTOPC-UHFFFAOYSA-N
XLogP0.82
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone?
The IUPAC name of 1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone (CID 110105368) is 1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone is Cc1cnn(CC(=O)N2CCOCC2c2ncc(C)[nH]2)c1.
What is the InChIKey of 1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone?
The InChIKey is UVCADBVKJRTOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-10-5-16-18(7-10)8-13(20)19-3-4-21-9-12(19)14-15-6-11(2)17-14/h5-7,12H,3-4,8-9H2,1-2H3,(H,15,17).
What are the key properties of 1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone?
1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone has a molecular weight of 289.34 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone is sourced from PubChem (CID 110105368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).