3-(1-ethyl-3-methylpyrazol-4-yl)-1-morpholin-4-ylpropan-1-one

C13H21N3O2 — CID 35762496

IUPAC3-(1-ethyl-3-methylpyrazol-4-yl)-1-morpholin-4-ylpropan-1-one
SMILESCCn1cc(CCC(=O)N2CCOCC2)c(C)n1
InChIInChI=1S/C13H21N3O2/c1-3-16-10-12(11(2)14-16)4-5-13(17)15-6-8-18-9-7-15/h10H,3-9H2,1-2H3
InChIKeyUNAHNNXUJQGWMB-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.00
Rot. Bonds4

About 3-(1-ethyl-3-methylpyrazol-4-yl)-1-morpholin-4-ylpropan-1-one

3-(1-ethyl-3-methylpyrazol-4-yl)-1-morpholin-4-ylpropan-1-one (PubChem CID 35762496) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(1-ethyl-3-methylpyrazol-4-yl)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-(1-ethyl-3-methylpyrazol-4-yl)-1-morpholin-4-ylpropan-1-one
PubChem CID35762496
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-(1-ethyl-3-methylpyrazol-4-yl)-1-morpholin-4-ylpropan-1-one
SMILESCCn1cc(CCC(=O)N2CCOCC2)c(C)n1
InChIInChI=1S/C13H21N3O2/c1-3-16-10-12(11(2)14-16)4-5-13(17)15-6-8-18-9-7-15/h10H,3-9H2,1-2H3
InChIKeyUNAHNNXUJQGWMB-UHFFFAOYSA-N
XLogP1.00
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[3-(1-ethyl-3-methylpyrazol-4-yl)propanoyl]-1,4-diazepane-1-carboxylate
CID 95752583
3-(1-ethyl-3-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one
CID 91956640
N-cyclopentyl-3-(1-ethyl-3-methylpyrazol-4-yl)propanamide
CID 35762567
3-(1-ethyl-3-methylpyrazol-4-yl)propan-1-ol
CID 23006051
3-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)-1-morpholin-4-ylpropan-1-one
CID 155686687
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
1-morpholin-4-yl-3-(4-nitroimidazol-1-yl)propan-1-one
CID 60726597
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-morpholin-4-ylpropan-1-one
CID 4769764
2-(4,5-dimethylimidazol-1-yl)-1-morpholin-4-ylethanone
CID 115616713
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one
CID 20900005
3-(1,3-dimethylpyrazol-4-yl)-1-(5-fluoro-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-15-yl)propan-1-one
CID 133079076
3-[(1-methyl-4-nitropyrazol-3-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 103080086

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-3-methylpyrazol-4-yl)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-(1-ethyl-3-methylpyrazol-4-yl)-1-morpholin-4-ylpropan-1-one (CID 35762496) is 3-(1-ethyl-3-methylpyrazol-4-yl)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-(1-ethyl-3-methylpyrazol-4-yl)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-(1-ethyl-3-methylpyrazol-4-yl)-1-morpholin-4-ylpropan-1-one is CCn1cc(CCC(=O)N2CCOCC2)c(C)n1.
What is the InChIKey of 3-(1-ethyl-3-methylpyrazol-4-yl)-1-morpholin-4-ylpropan-1-one?
The InChIKey is UNAHNNXUJQGWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-16-10-12(11(2)14-16)4-5-13(17)15-6-8-18-9-7-15/h10H,3-9H2,1-2H3.
What are the key properties of 3-(1-ethyl-3-methylpyrazol-4-yl)-1-morpholin-4-ylpropan-1-one?
3-(1-ethyl-3-methylpyrazol-4-yl)-1-morpholin-4-ylpropan-1-one has a molecular weight of 251.33 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-3-methylpyrazol-4-yl)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 35762496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).