3-(3-methylpyrazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one

C16H21N5O2 — CID 124946669

IUPAC3-(3-methylpyrazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one
SMILESCc1ccn(CCC(=O)N2CCO[C@@H](c3ccnc(C)n3)C2)n1
InChIInChI=1S/C16H21N5O2/c1-12-4-7-21(19-12)8-5-16(22)20-9-10-23-15(11-20)14-3-6-17-13(2)18-14/h3-4,6-7,15H,5,8-11H2,1-2H3/t15-/m1/s1
InChIKeyBZXJBPDTLHCGGB-OAHLLOKOSA-N
MW315.38 g/mol
LogP1.28
Rot. Bonds4

About 3-(3-methylpyrazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one

3-(3-methylpyrazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one (PubChem CID 124946669) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-(3-methylpyrazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-methylpyrazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one
PubChem CID124946669
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name3-(3-methylpyrazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one
SMILESCc1ccn(CCC(=O)N2CCO[C@@H](c3ccnc(C)n3)C2)n1
InChIInChI=1S/C16H21N5O2/c1-12-4-7-21(19-12)8-5-16(22)20-9-10-23-15(11-20)14-3-6-17-13(2)18-14/h3-4,6-7,15H,5,8-11H2,1-2H3/t15-/m1/s1
InChIKeyBZXJBPDTLHCGGB-OAHLLOKOSA-N
XLogP1.28
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 110115964
1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 124945971
1-[(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 124940912
3-(3-methylpyrazol-1-yl)-1-[(3R)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 125021719
3-(2-ethylimidazol-1-yl)-1-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one
CID 110115823
4-imidazol-1-yl-1-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]butan-1-one
CID 124954713
1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 124961996
3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one
CID 124944156
3-(3-methylpyrazol-1-yl)-1-[(2R)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one
CID 92562549
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 124993182
2-(2,3-dihydro-1H-inden-5-yl)-1-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]ethanone
CID 124941213
2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]ethanone
CID 124941214

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpyrazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(3-methylpyrazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one (CID 124946669) is 3-(3-methylpyrazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(3-methylpyrazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(3-methylpyrazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one is Cc1ccn(CCC(=O)N2CCO[C@@H](c3ccnc(C)n3)C2)n1.
What is the InChIKey of 3-(3-methylpyrazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one?
The InChIKey is BZXJBPDTLHCGGB-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-12-4-7-21(19-12)8-5-16(22)20-9-10-23-15(11-20)14-3-6-17-13(2)18-14/h3-4,6-7,15H,5,8-11H2,1-2H3/t15-/m1/s1.
What are the key properties of 3-(3-methylpyrazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one?
3-(3-methylpyrazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one has a molecular weight of 315.38 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpyrazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 124946669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).