5-[4-(2-methylthiophene-3-carbonyl)morpholin-3-yl]-1,2-dihydropyrazol-3-one

C13H15N3O3S — CID 167943482

IUPAC5-[4-(2-methylthiophene-3-carbonyl)morpholin-3-yl]-1,2-dihydropyrazol-3-one
SMILESCc1sccc1C(=O)N1CCOCC1c1cc(=O)[nH][nH]1
InChIInChI=1S/C13H15N3O3S/c1-8-9(2-5-20-8)13(18)16-3-4-19-7-11(16)10-6-12(17)15-14-10/h2,5-6,11H,3-4,7H2,1H3,(H2,14,15,17)
InChIKeyAEMQEJPZHUSBIA-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.29
Rot. Bonds2

About 5-[4-(2-methylthiophene-3-carbonyl)morpholin-3-yl]-1,2-dihydropyrazol-3-one

5-[4-(2-methylthiophene-3-carbonyl)morpholin-3-yl]-1,2-dihydropyrazol-3-one (PubChem CID 167943482) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 5-[4-(2-methylthiophene-3-carbonyl)morpholin-3-yl]-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-[4-(2-methylthiophene-3-carbonyl)morpholin-3-yl]-1,2-dihydropyrazol-3-one
PubChem CID167943482
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name5-[4-(2-methylthiophene-3-carbonyl)morpholin-3-yl]-1,2-dihydropyrazol-3-one
SMILESCc1sccc1C(=O)N1CCOCC1c1cc(=O)[nH][nH]1
InChIInChI=1S/C13H15N3O3S/c1-8-9(2-5-20-8)13(18)16-3-4-19-7-11(16)10-6-12(17)15-14-10/h2,5-6,11H,3-4,7H2,1H3,(H2,14,15,17)
InChIKeyAEMQEJPZHUSBIA-UHFFFAOYSA-N
XLogP1.29
TPSA78.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(3-phenoxypropanoyl)morpholin-3-yl]-1,2-dihydropyrazol-3-one
CID 166385290
2-methyl-4-[(3S)-4-(4-methylpyrimidine-5-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 137168474
4-[(3R)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137149613
[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(3-methylthiophen-2-yl)methanone
CID 86794107
(2-methylphenyl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
CID 75471264
(5-methyl-1,2-oxazol-3-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 110114599
4-[(3R)-4-(1-ethyl-3-methylpyrazole-4-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137166547
4-(4-amino-2-methylbenzoyl)morpholine-3-carboxamide
CID 83094286
(4-methylmorpholin-2-yl)-(2-methylthiophen-3-yl)methanone
CID 102830916
(5-methyl-1,3-oxazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124981377
4-[(3R)-4-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137032320
4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-3-carboxylic acid
CID 115730889

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methylthiophene-3-carbonyl)morpholin-3-yl]-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-[4-(2-methylthiophene-3-carbonyl)morpholin-3-yl]-1,2-dihydropyrazol-3-one (CID 167943482) is 5-[4-(2-methylthiophene-3-carbonyl)morpholin-3-yl]-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-[4-(2-methylthiophene-3-carbonyl)morpholin-3-yl]-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-[4-(2-methylthiophene-3-carbonyl)morpholin-3-yl]-1,2-dihydropyrazol-3-one is Cc1sccc1C(=O)N1CCOCC1c1cc(=O)[nH][nH]1.
What is the InChIKey of 5-[4-(2-methylthiophene-3-carbonyl)morpholin-3-yl]-1,2-dihydropyrazol-3-one?
The InChIKey is AEMQEJPZHUSBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-8-9(2-5-20-8)13(18)16-3-4-19-7-11(16)10-6-12(17)15-14-10/h2,5-6,11H,3-4,7H2,1H3,(H2,14,15,17).
What are the key properties of 5-[4-(2-methylthiophene-3-carbonyl)morpholin-3-yl]-1,2-dihydropyrazol-3-one?
5-[4-(2-methylthiophene-3-carbonyl)morpholin-3-yl]-1,2-dihydropyrazol-3-one has a molecular weight of 293.35 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methylthiophene-3-carbonyl)morpholin-3-yl]-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 167943482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).