2-methyl-5-[4-(2-phenylacetyl)morpholin-2-yl]-1H-pyrazol-3-one

C16H19N3O3 — CID 110258879

IUPAC2-methyl-5-[4-(2-phenylacetyl)morpholin-2-yl]-1H-pyrazol-3-one
SMILESCn1[nH]c(C2CN(C(=O)Cc3ccccc3)CCO2)cc1=O
InChIInChI=1S/C16H19N3O3/c1-18-15(20)10-13(17-18)14-11-19(7-8-22-14)16(21)9-12-5-3-2-4-6-12/h2-6,10,14,17H,7-9,11H2,1H3
InChIKeyLOIGBJRWBMIFKL-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.86
Rot. Bonds3

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

2-methyl-5-[4-(2-phenylacetyl)morpholin-2-yl]-1H-pyrazol-3-one (PubChem CID 110258879) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-methyl-5-[4-(2-phenylacetyl)morpholin-2-yl]-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-methyl-5-[4-(2-phenylacetyl)morpholin-2-yl]-1H-pyrazol-3-one
PubChem CID110258879
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-methyl-5-[4-(2-phenylacetyl)morpholin-2-yl]-1H-pyrazol-3-one
SMILESCn1[nH]c(C2CN(C(=O)Cc3ccccc3)CCO2)cc1=O
InChIInChI=1S/C16H19N3O3/c1-18-15(20)10-13(17-18)14-11-19(7-8-22-14)16(21)9-12-5-3-2-4-6-12/h2-6,10,14,17H,7-9,11H2,1H3
InChIKeyLOIGBJRWBMIFKL-UHFFFAOYSA-N
XLogP0.86
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(2-phenylacetyl)morpholin-2-yl]-1H-pyrazol-3-one?
The IUPAC name of 2-methyl-5-[4-(2-phenylacetyl)morpholin-2-yl]-1H-pyrazol-3-one (CID 110258879) is 2-methyl-5-[4-(2-phenylacetyl)morpholin-2-yl]-1H-pyrazol-3-one.
What is the SMILES notation for 2-methyl-5-[4-(2-phenylacetyl)morpholin-2-yl]-1H-pyrazol-3-one?
The canonical SMILES for 2-methyl-5-[4-(2-phenylacetyl)morpholin-2-yl]-1H-pyrazol-3-one is Cn1[nH]c(C2CN(C(=O)Cc3ccccc3)CCO2)cc1=O.
What is the InChIKey of 2-methyl-5-[4-(2-phenylacetyl)morpholin-2-yl]-1H-pyrazol-3-one?
The InChIKey is LOIGBJRWBMIFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-18-15(20)10-13(17-18)14-11-19(7-8-22-14)16(21)9-12-5-3-2-4-6-12/h2-6,10,14,17H,7-9,11H2,1H3.
What are the key properties of 2-methyl-5-[4-(2-phenylacetyl)morpholin-2-yl]-1H-pyrazol-3-one?
2-methyl-5-[4-(2-phenylacetyl)morpholin-2-yl]-1H-pyrazol-3-one has a molecular weight of 301.35 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(2-phenylacetyl)morpholin-2-yl]-1H-pyrazol-3-one is sourced from PubChem (CID 110258879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).