5-(morpholin-4-ylmethyl)-2-phenyl-4H-pyrazol-3-one

C14H17N3O2 — CID 86175824

IUPAC5-(morpholin-4-ylmethyl)-2-phenyl-4H-pyrazol-3-one
SMILESO=C1CC(CN2CCOCC2)=NN1c1ccccc1
InChIInChI=1S/C14H17N3O2/c18-14-10-12(11-16-6-8-19-9-7-16)15-17(14)13-4-2-1-3-5-13/h1-5H,6-11H2
InChIKeyBRYBQNFUCPFGLN-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.11
Rot. Bonds3

About 5-(morpholin-4-ylmethyl)-2-phenyl-4H-pyrazol-3-one

5-(morpholin-4-ylmethyl)-2-phenyl-4H-pyrazol-3-one (PubChem CID 86175824) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-(morpholin-4-ylmethyl)-2-phenyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-(morpholin-4-ylmethyl)-2-phenyl-4H-pyrazol-3-one
PubChem CID86175824
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-(morpholin-4-ylmethyl)-2-phenyl-4H-pyrazol-3-one
SMILESO=C1CC(CN2CCOCC2)=NN1c1ccccc1
InChIInChI=1S/C14H17N3O2/c18-14-10-12(11-16-6-8-19-9-7-16)15-17(14)13-4-2-1-3-5-13/h1-5H,6-11H2
InChIKeyBRYBQNFUCPFGLN-UHFFFAOYSA-N
XLogP1.11
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(morpholin-4-ylmethyl)-2-phenyl-4H-pyrazol-3-one?
The IUPAC name of 5-(morpholin-4-ylmethyl)-2-phenyl-4H-pyrazol-3-one (CID 86175824) is 5-(morpholin-4-ylmethyl)-2-phenyl-4H-pyrazol-3-one.
What is the SMILES notation for 5-(morpholin-4-ylmethyl)-2-phenyl-4H-pyrazol-3-one?
The canonical SMILES for 5-(morpholin-4-ylmethyl)-2-phenyl-4H-pyrazol-3-one is O=C1CC(CN2CCOCC2)=NN1c1ccccc1.
What is the InChIKey of 5-(morpholin-4-ylmethyl)-2-phenyl-4H-pyrazol-3-one?
The InChIKey is BRYBQNFUCPFGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-14-10-12(11-16-6-8-19-9-7-16)15-17(14)13-4-2-1-3-5-13/h1-5H,6-11H2.
What are the key properties of 5-(morpholin-4-ylmethyl)-2-phenyl-4H-pyrazol-3-one?
5-(morpholin-4-ylmethyl)-2-phenyl-4H-pyrazol-3-one has a molecular weight of 259.31 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(morpholin-4-ylmethyl)-2-phenyl-4H-pyrazol-3-one is sourced from PubChem (CID 86175824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).