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

C14H17N3O2S — CID 110114639

IUPAC2-(5-methylthiophen-2-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone
SMILESCc1ccc(CC(=O)N2CCOCC2c2ccn[nH]2)s1
InChIInChI=1S/C14H17N3O2S/c1-10-2-3-11(20-10)8-14(18)17-6-7-19-9-13(17)12-4-5-15-16-12/h2-5,13H,6-9H2,1H3,(H,15,16)
InChIKeyNSVRHKARNOHKCR-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.92
Rot. Bonds3

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

2-(5-methylthiophen-2-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone (PubChem CID 110114639) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone
PubChem CID110114639
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-(5-methylthiophen-2-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone
SMILESCc1ccc(CC(=O)N2CCOCC2c2ccn[nH]2)s1
InChIInChI=1S/C14H17N3O2S/c1-10-2-3-11(20-10)8-14(18)17-6-7-19-9-13(17)12-4-5-15-16-12/h2-5,13H,6-9H2,1H3,(H,15,16)
InChIKeyNSVRHKARNOHKCR-UHFFFAOYSA-N
XLogP1.92
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 110132457
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone
CID 110114673
4-oxo-4-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]butanoic acid
CID 125026828
1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-2-pyridin-3-ylethanone
CID 124991678
2-methyl-4-[(3S)-4-[2-(5-methylthiophen-2-yl)acetyl]morpholin-3-yl]-1H-pyrimidin-6-one
CID 137149663
3-(1,5-dimethylpyrazol-4-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one
CID 125001935
3-(2-methylpyrazol-3-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one
CID 110114754
(5-methyl-1,2-oxazol-3-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 110114599
3-(2-ethylimidazol-1-yl)-1-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one
CID 125006152
3-(2-ethylimidazol-1-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one
CID 125006153
(5-methyl-1,3-oxazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124981377
(2-cyclopropylpyrimidin-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 110114756

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(5-methylthiophen-2-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone (CID 110114639) is 2-(5-methylthiophen-2-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone is Cc1ccc(CC(=O)N2CCOCC2c2ccn[nH]2)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone?
The InChIKey is NSVRHKARNOHKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-2-3-11(20-10)8-14(18)17-6-7-19-9-13(17)12-4-5-15-16-12/h2-5,13H,6-9H2,1H3,(H,15,16).
What are the key properties of 2-(5-methylthiophen-2-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone?
2-(5-methylthiophen-2-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone has a molecular weight of 291.38 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 110114639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).