1-[(2R)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one

C18H27N5O2 — CID 124968411

IUPAC1-[(2R)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one
SMILESCc1cn(C)c([C@H]2CN(C(=O)CCCn3nc(C)cc3C)CCO2)n1
InChIInChI=1S/C18H27N5O2/c1-13-10-15(3)23(20-13)7-5-6-17(24)22-8-9-25-16(12-22)18-19-14(2)11-21(18)4/h10-11,16H,5-9,12H2,1-4H3/t16-/m1/s1
InChIKeyJARYMDISDJXLAW-MRXNPFEDSA-N
MW345.45 g/mol
LogP1.92
Rot. Bonds5

About 1-[(2R)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one

1-[(2R)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one (PubChem CID 124968411) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-[(2R)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one
PubChem CID124968411
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name1-[(2R)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one
SMILESCc1cn(C)c([C@H]2CN(C(=O)CCCn3nc(C)cc3C)CCO2)n1
InChIInChI=1S/C18H27N5O2/c1-13-10-15(3)23(20-13)7-5-6-17(24)22-8-9-25-16(12-22)18-19-14(2)11-21(18)4/h10-11,16H,5-9,12H2,1-4H3/t16-/m1/s1
InChIKeyJARYMDISDJXLAW-MRXNPFEDSA-N
XLogP1.92
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]butan-1-one
CID 124974362
4-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one
CID 124983863
3-(3-chloro-1,2-oxazol-5-yl)-1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]propan-1-one
CID 124960798
1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one
CID 125010039
3-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]propan-1-one
CID 124750662
1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-1-one
CID 124989348
1-[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
CID 110105066
1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
CID 124957810
[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 110105248
[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone
CID 110105018
[(2R)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 124940324
4-(3,5-dimethylpyrazol-1-yl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 127247107

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one?
The IUPAC name of 1-[(2R)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one (CID 124968411) is 1-[(2R)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one.
What is the SMILES notation for 1-[(2R)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one?
The canonical SMILES for 1-[(2R)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one is Cc1cn(C)c([C@H]2CN(C(=O)CCCn3nc(C)cc3C)CCO2)n1.
What is the InChIKey of 1-[(2R)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one?
The InChIKey is JARYMDISDJXLAW-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-13-10-15(3)23(20-13)7-5-6-17(24)22-8-9-25-16(12-22)18-19-14(2)11-21(18)4/h10-11,16H,5-9,12H2,1-4H3/t16-/m1/s1.
What are the key properties of 1-[(2R)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one?
1-[(2R)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one has a molecular weight of 345.45 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one is sourced from PubChem (CID 124968411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).