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

C17H23N5O2 — CID 124983863

IUPAC4-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one
SMILESCc1cc(C)n(CCCC(=O)N2CCO[C@@H](c3cnccn3)C2)n1
InChIInChI=1S/C17H23N5O2/c1-13-10-14(2)22(20-13)7-3-4-17(23)21-8-9-24-16(12-21)15-11-18-5-6-19-15/h5-6,10-11,16H,3-4,7-9,12H2,1-2H3/t16-/m1/s1
InChIKeyNGPZGTRGPFBYIX-MRXNPFEDSA-N
MW329.40 g/mol
LogP1.67
Rot. Bonds5

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

4-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one (PubChem CID 124983863) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one
PubChem CID124983863
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one
SMILESCc1cc(C)n(CCCC(=O)N2CCO[C@@H](c3cnccn3)C2)n1
InChIInChI=1S/C17H23N5O2/c1-13-10-14(2)22(20-13)7-3-4-17(23)21-8-9-24-16(12-21)15-11-18-5-6-19-15/h5-6,10-11,16H,3-4,7-9,12H2,1-2H3/t16-/m1/s1
InChIKeyNGPZGTRGPFBYIX-MRXNPFEDSA-N
XLogP1.67
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.67
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-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one
CID 124944928
1-[(2R)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 124968411
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 124982846
3-phenoxy-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one
CID 124947678
1-(2-pyrazin-2-ylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one
CID 127246248
2-cyclopentyl-1-(2-pyrazin-2-ylmorpholin-4-yl)ethanone
CID 127246236
2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 124940115
1-(2-pyrazin-2-ylmorpholin-4-yl)-3-thiophen-2-ylpropan-1-one
CID 127246266
2-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]ethanone
CID 124943524
(3,5-dimethyl-1-propylpyrazol-4-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 124953737
2-(4-propan-2-ylpiperazin-1-yl)-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]ethanone
CID 124958951

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one (CID 124983863) is 4-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one is Cc1cc(C)n(CCCC(=O)N2CCO[C@@H](c3cnccn3)C2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one?
The InChIKey is NGPZGTRGPFBYIX-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-13-10-14(2)22(20-13)7-3-4-17(23)21-8-9-24-16(12-21)15-11-18-5-6-19-15/h5-6,10-11,16H,3-4,7-9,12H2,1-2H3/t16-/m1/s1.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one?
4-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one has a molecular weight of 329.40 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one is sourced from PubChem (CID 124983863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).