5-methyl-4,4-dimorpholin-4-yl-2-phenylpyrazol-3-one

C18H24N4O3 — CID 5167286

IUPAC5-methyl-4,4-dimorpholin-4-yl-2-phenylpyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)C1(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C18H24N4O3/c1-15-18(20-7-11-24-12-8-20,21-9-13-25-14-10-21)17(23)22(19-15)16-5-3-2-4-6-16/h2-6H,7-14H2,1H3
InChIKeyXLPGEMTWLSUNBL-UHFFFAOYSA-N
MW344.41 g/mol
LogP0.77
Rot. Bonds3

About 5-methyl-4,4-dimorpholin-4-yl-2-phenylpyrazol-3-one

5-methyl-4,4-dimorpholin-4-yl-2-phenylpyrazol-3-one (PubChem CID 5167286) has the molecular formula C18H24N4O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is 5-methyl-4,4-dimorpholin-4-yl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name5-methyl-4,4-dimorpholin-4-yl-2-phenylpyrazol-3-one
PubChem CID5167286
Molecular FormulaC18H24N4O3
Molecular Weight344.41 g/mol
Exact Mass344.18
IUPAC Name5-methyl-4,4-dimorpholin-4-yl-2-phenylpyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)C1(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C18H24N4O3/c1-15-18(20-7-11-24-12-8-20,21-9-13-25-14-10-21)17(23)22(19-15)16-5-3-2-4-6-16/h2-6H,7-14H2,1H3
InChIKeyXLPGEMTWLSUNBL-UHFFFAOYSA-N
XLogP0.77
TPSA57.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4,4-dimorpholin-4-yl-2-phenylpyrazol-3-one?
The IUPAC name of 5-methyl-4,4-dimorpholin-4-yl-2-phenylpyrazol-3-one (CID 5167286) is 5-methyl-4,4-dimorpholin-4-yl-2-phenylpyrazol-3-one.
What is the SMILES notation for 5-methyl-4,4-dimorpholin-4-yl-2-phenylpyrazol-3-one?
The canonical SMILES for 5-methyl-4,4-dimorpholin-4-yl-2-phenylpyrazol-3-one is CC1=NN(c2ccccc2)C(=O)C1(N1CCOCC1)N1CCOCC1.
What is the InChIKey of 5-methyl-4,4-dimorpholin-4-yl-2-phenylpyrazol-3-one?
The InChIKey is XLPGEMTWLSUNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-15-18(20-7-11-24-12-8-20,21-9-13-25-14-10-21)17(23)22(19-15)16-5-3-2-4-6-16/h2-6H,7-14H2,1H3.
What are the key properties of 5-methyl-4,4-dimorpholin-4-yl-2-phenylpyrazol-3-one?
5-methyl-4,4-dimorpholin-4-yl-2-phenylpyrazol-3-one has a molecular weight of 344.41 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4,4-dimorpholin-4-yl-2-phenylpyrazol-3-one is sourced from PubChem (CID 5167286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).