1-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone

C15H19N3O2S — CID 110132457

IUPAC1-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(CC(=O)N2CCOCC2c2[nH]ncc2C)s1
InChIInChI=1S/C15H19N3O2S/c1-10-8-16-17-15(10)13-9-20-6-5-18(13)14(19)7-12-4-3-11(2)21-12/h3-4,8,13H,5-7,9H2,1-2H3,(H,16,17)
InChIKeyXPOJUXYDBANAIH-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.23
Rot. Bonds3

About 1-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone

1-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone (PubChem CID 110132457) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone
PubChem CID110132457
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name1-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(CC(=O)N2CCOCC2c2[nH]ncc2C)s1
InChIInChI=1S/C15H19N3O2S/c1-10-8-16-17-15(10)13-9-20-6-5-18(13)14(19)7-12-4-3-11(2)21-12/h3-4,8,13H,5-7,9H2,1-2H3,(H,16,17)
InChIKeyXPOJUXYDBANAIH-UHFFFAOYSA-N
XLogP2.23
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 124941970
2-(5-methylthiophen-2-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone
CID 110114639
2-methyl-4-[(3S)-4-[2-(5-methylthiophen-2-yl)acetyl]morpholin-3-yl]-1H-pyrimidin-6-one
CID 137149663
[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-(2-methylpyrimidin-5-yl)methanone
CID 110132430
[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyridazin-4-ylmethanone
CID 110132433
[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
CID 110132537
(5-methylpyrazin-2-yl)-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124972296
1H-indol-2-yl-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124988103
4-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]butan-1-one
CID 124961386
(5-methyl-1,3-oxazol-4-yl)-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124963161
[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-4-ylmethanone
CID 110132428
[(3S)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-(1-propylpyrazol-3-yl)methanone
CID 124954435

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 1-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone (CID 110132457) is 1-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 1-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone is Cc1ccc(CC(=O)N2CCOCC2c2[nH]ncc2C)s1.
What is the InChIKey of 1-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone?
The InChIKey is XPOJUXYDBANAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-8-16-17-15(10)13-9-20-6-5-18(13)14(19)7-12-4-3-11(2)21-12/h3-4,8,13H,5-7,9H2,1-2H3,(H,16,17).
What are the key properties of 1-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone?
1-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone has a molecular weight of 305.40 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 110132457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).