3-(1,5-dimethylpyrazol-4-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]propan-1-one

C17H23N5O2 — CID 125009198

IUPAC3-(1,5-dimethylpyrazol-4-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]propan-1-one
SMILESCc1ccnc([C@@H]2CN(C(=O)CCc3cnn(C)c3C)CCO2)n1
InChIInChI=1S/C17H23N5O2/c1-12-6-7-18-17(20-12)15-11-22(8-9-24-15)16(23)5-4-14-10-19-21(3)13(14)2/h6-7,10,15H,4-5,8-9,11H2,1-3H3/t15-/m0/s1
InChIKeyVAOTUZBVXAKKBQ-HNNXBMFYSA-N
MW329.40 g/mol
LogP1.36
Rot. Bonds4

About 3-(1,5-dimethylpyrazol-4-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]propan-1-one

3-(1,5-dimethylpyrazol-4-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]propan-1-one (PubChem CID 125009198) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-(1,5-dimethylpyrazol-4-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(1,5-dimethylpyrazol-4-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]propan-1-one
PubChem CID125009198
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name3-(1,5-dimethylpyrazol-4-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]propan-1-one
SMILESCc1ccnc([C@@H]2CN(C(=O)CCc3cnn(C)c3C)CCO2)n1
InChIInChI=1S/C17H23N5O2/c1-12-6-7-18-17(20-12)15-11-22(8-9-24-15)16(23)5-4-14-10-19-21(3)13(14)2/h6-7,10,15H,4-5,8-9,11H2,1-3H3/t15-/m0/s1
InChIKeyVAOTUZBVXAKKBQ-HNNXBMFYSA-N
XLogP1.36
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(1,5-dimethylpyrazol-4-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]propan-1-one with MolForge

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Related Compounds

1-[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124975891
1-[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-(1,5-dimethylpyrazol-4-yl)propan-1-one
CID 124998866
4-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]butan-1-one
CID 124974362
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone
CID 110115520
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone
CID 125000690
3-[methyl(pyridin-3-ylmethyl)amino]-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]propan-1-one
CID 125007577
1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 124944644
1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110115499
3-(1,5-dimethylpyrazol-4-yl)-1-[(6S)-6-(pyrimidin-4-ylmethyl)-1,4-oxazepan-4-yl]propan-1-one
CID 124950564
2-(2-fluorophenoxy)-1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone
CID 110115486
[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-quinolin-3-ylmethanone
CID 124959536
1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
CID 124955633

Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]propan-1-one (CID 125009198) is 3-(1,5-dimethylpyrazol-4-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(1,5-dimethylpyrazol-4-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(1,5-dimethylpyrazol-4-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]propan-1-one is Cc1ccnc([C@@H]2CN(C(=O)CCc3cnn(C)c3C)CCO2)n1.
What is the InChIKey of 3-(1,5-dimethylpyrazol-4-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]propan-1-one?
The InChIKey is VAOTUZBVXAKKBQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12-6-7-18-17(20-12)15-11-22(8-9-24-15)16(23)5-4-14-10-19-21(3)13(14)2/h6-7,10,15H,4-5,8-9,11H2,1-3H3/t15-/m0/s1.
What are the key properties of 3-(1,5-dimethylpyrazol-4-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]propan-1-one?
3-(1,5-dimethylpyrazol-4-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]propan-1-one has a molecular weight of 329.40 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethylpyrazol-4-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 125009198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).