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

C16H23N5O2 — CID 110105463

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one
SMILESCc1cnc(C2COCCN2C(=O)CCc2c(C)n[nH]c2C)[nH]1
InChIInChI=1S/C16H23N5O2/c1-10-8-17-16(18-10)14-9-23-7-6-21(14)15(22)5-4-13-11(2)19-20-12(13)3/h8,14H,4-7,9H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyOQCHMHPJKWFJHG-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.59
Rot. Bonds4

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

3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one (PubChem CID 110105463) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one
PubChem CID110105463
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one
SMILESCc1cnc(C2COCCN2C(=O)CCc2c(C)n[nH]c2C)[nH]1
InChIInChI=1S/C16H23N5O2/c1-10-8-17-16(18-10)14-9-23-7-6-21(14)15(22)5-4-13-11(2)19-20-12(13)3/h8,14H,4-7,9H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyOQCHMHPJKWFJHG-UHFFFAOYSA-N
XLogP1.59
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one (CID 110105463) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one is Cc1cnc(C2COCCN2C(=O)CCc2c(C)n[nH]c2C)[nH]1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one?
The InChIKey is OQCHMHPJKWFJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-10-8-17-16(18-10)14-9-23-7-6-21(14)15(22)5-4-13-11(2)19-20-12(13)3/h8,14H,4-7,9H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one has a molecular weight of 317.39 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 110105463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).