3-(5-methylpyrazol-1-yl)-1-[(2S)-2-pyridin-4-ylmorpholin-4-yl]propan-1-one

C16H20N4O2 — CID 125026147

IUPAC3-(5-methylpyrazol-1-yl)-1-[(2S)-2-pyridin-4-ylmorpholin-4-yl]propan-1-one
SMILESCc1ccnn1CCC(=O)N1CCO[C@@H](c2ccncc2)C1
InChIInChI=1S/C16H20N4O2/c1-13-2-8-18-20(13)9-5-16(21)19-10-11-22-15(12-19)14-3-6-17-7-4-14/h2-4,6-8,15H,5,9-12H2,1H3/t15-/m1/s1
InChIKeyZRNSEMIHTCLMLH-OAHLLOKOSA-N
MW300.36 g/mol
LogP1.58
Rot. Bonds4

About 3-(5-methylpyrazol-1-yl)-1-[(2S)-2-pyridin-4-ylmorpholin-4-yl]propan-1-one

3-(5-methylpyrazol-1-yl)-1-[(2S)-2-pyridin-4-ylmorpholin-4-yl]propan-1-one (PubChem CID 125026147) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-(5-methylpyrazol-1-yl)-1-[(2S)-2-pyridin-4-ylmorpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(5-methylpyrazol-1-yl)-1-[(2S)-2-pyridin-4-ylmorpholin-4-yl]propan-1-one
PubChem CID125026147
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name3-(5-methylpyrazol-1-yl)-1-[(2S)-2-pyridin-4-ylmorpholin-4-yl]propan-1-one
SMILESCc1ccnn1CCC(=O)N1CCO[C@@H](c2ccncc2)C1
InChIInChI=1S/C16H20N4O2/c1-13-2-8-18-20(13)9-5-16(21)19-10-11-22-15(12-19)14-3-6-17-7-4-14/h2-4,6-8,15H,5,9-12H2,1H3/t15-/m1/s1
InChIKeyZRNSEMIHTCLMLH-OAHLLOKOSA-N
XLogP1.58
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 125011310
1-[2-[4-[(4-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 127251461
3-(5-methylpyrazol-1-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 45239749
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-pyridin-4-ylmorpholin-4-yl)propan-1-one
CID 110102568
1-[(2R)-2-pyridin-4-ylmorpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124986253
3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 95555940
3-[methyl(pyridin-3-ylmethyl)amino]-1-(2-pyridin-4-ylmorpholin-4-yl)propan-1-one
CID 110102620
(6R)-1-acetyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-6-carboxamide
CID 124996817
1-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
CID 95180794
5,5-dimethyl-3-[2-oxo-2-(2-pyridin-4-ylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione
CID 110102604
1-(2-pyridin-4-ylmorpholin-4-yl)-2-thiophen-3-ylethanone
CID 110102530
2-(2-chlorophenoxy)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone
CID 110102605

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylpyrazol-1-yl)-1-[(2S)-2-pyridin-4-ylmorpholin-4-yl]propan-1-one?
The IUPAC name of 3-(5-methylpyrazol-1-yl)-1-[(2S)-2-pyridin-4-ylmorpholin-4-yl]propan-1-one (CID 125026147) is 3-(5-methylpyrazol-1-yl)-1-[(2S)-2-pyridin-4-ylmorpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(5-methylpyrazol-1-yl)-1-[(2S)-2-pyridin-4-ylmorpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(5-methylpyrazol-1-yl)-1-[(2S)-2-pyridin-4-ylmorpholin-4-yl]propan-1-one is Cc1ccnn1CCC(=O)N1CCO[C@@H](c2ccncc2)C1.
What is the InChIKey of 3-(5-methylpyrazol-1-yl)-1-[(2S)-2-pyridin-4-ylmorpholin-4-yl]propan-1-one?
The InChIKey is ZRNSEMIHTCLMLH-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-13-2-8-18-20(13)9-5-16(21)19-10-11-22-15(12-19)14-3-6-17-7-4-14/h2-4,6-8,15H,5,9-12H2,1H3/t15-/m1/s1.
What are the key properties of 3-(5-methylpyrazol-1-yl)-1-[(2S)-2-pyridin-4-ylmorpholin-4-yl]propan-1-one?
3-(5-methylpyrazol-1-yl)-1-[(2S)-2-pyridin-4-ylmorpholin-4-yl]propan-1-one has a molecular weight of 300.36 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylpyrazol-1-yl)-1-[(2S)-2-pyridin-4-ylmorpholin-4-yl]propan-1-one is sourced from PubChem (CID 125026147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).