1-(2,5-dimethylpyrazol-3-yl)-3-morpholin-2-ylpropan-2-one

C12H19N3O2 — CID 116586283

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-morpholin-2-ylpropan-2-one
SMILESCc1cc(CC(=O)CC2CNCCO2)n(C)n1
InChIInChI=1S/C12H19N3O2/c1-9-5-10(15(2)14-9)6-11(16)7-12-8-13-3-4-17-12/h5,12-13H,3-4,6-8H2,1-2H3
InChIKeyNQDSWSRLQBOWPB-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.22
Rot. Bonds4

About 1-(2,5-dimethylpyrazol-3-yl)-3-morpholin-2-ylpropan-2-one

1-(2,5-dimethylpyrazol-3-yl)-3-morpholin-2-ylpropan-2-one (PubChem CID 116586283) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-morpholin-2-ylpropan-2-one.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-morpholin-2-ylpropan-2-one
PubChem CID116586283
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-morpholin-2-ylpropan-2-one
SMILESCc1cc(CC(=O)CC2CNCCO2)n(C)n1
InChIInChI=1S/C12H19N3O2/c1-9-5-10(15(2)14-9)6-11(16)7-12-8-13-3-4-17-12/h5,12-13H,3-4,6-8H2,1-2H3
InChIKeyNQDSWSRLQBOWPB-UHFFFAOYSA-N
XLogP0.22
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methyltetrazol-5-yl)-3-morpholin-2-ylpropan-2-one
CID 107062212
1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
CID 114979014
1-(2-methyl-1,3-thiazol-4-yl)-3-morpholin-2-ylpropan-2-one
CID 116586355
1-(2,5-dimethylpyrazol-3-yl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586576
1-morpholin-2-ylbutan-2-one
CID 116586154
1-(1-methylbenzimidazol-2-yl)-3-morpholin-2-ylpropan-2-one
CID 116586248
4-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-morpholin-2-yl]methyl]butanamide
CID 125442724
N-(4,6-dimethylpyrimidin-2-yl)-2-morpholin-2-ylacetamide
CID 66433769
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-morpholin-2-ylacetamide
CID 106047283
1,5-dimethyl-N-[[(2R)-morpholin-2-yl]methyl]pyrazole-3-carboxamide
CID 143160987
1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-morpholin-2-ylethanone;dihydrochloride
CID 119399314
N-(2,6-dimethylphenyl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119676388

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-morpholin-2-ylpropan-2-one?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-morpholin-2-ylpropan-2-one (CID 116586283) is 1-(2,5-dimethylpyrazol-3-yl)-3-morpholin-2-ylpropan-2-one.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-morpholin-2-ylpropan-2-one?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-morpholin-2-ylpropan-2-one is Cc1cc(CC(=O)CC2CNCCO2)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-morpholin-2-ylpropan-2-one?
The InChIKey is NQDSWSRLQBOWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-5-10(15(2)14-9)6-11(16)7-12-8-13-3-4-17-12/h5,12-13H,3-4,6-8H2,1-2H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-morpholin-2-ylpropan-2-one?
1-(2,5-dimethylpyrazol-3-yl)-3-morpholin-2-ylpropan-2-one has a molecular weight of 237.30 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-morpholin-2-ylpropan-2-one is sourced from PubChem (CID 116586283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).