5-morpholin-4-yl-2-phenyl-4H-pyrazol-3-one

C13H15N3O2 — CID 3528705

IUPAC5-morpholin-4-yl-2-phenyl-4H-pyrazol-3-one
SMILESO=C1CC(N2CCOCC2)=NN1c1ccccc1
InChIInChI=1S/C13H15N3O2/c17-13-10-12(15-6-8-18-9-7-15)14-16(13)11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeyDQRCBHHVZDSBAF-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.07
Rot. Bonds1

About 5-morpholin-4-yl-2-phenyl-4H-pyrazol-3-one

5-morpholin-4-yl-2-phenyl-4H-pyrazol-3-one (PubChem CID 3528705) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-morpholin-4-yl-2-phenyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-morpholin-4-yl-2-phenyl-4H-pyrazol-3-one
PubChem CID3528705
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name5-morpholin-4-yl-2-phenyl-4H-pyrazol-3-one
SMILESO=C1CC(N2CCOCC2)=NN1c1ccccc1
InChIInChI=1S/C13H15N3O2/c17-13-10-12(15-6-8-18-9-7-15)14-16(13)11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeyDQRCBHHVZDSBAF-UHFFFAOYSA-N
XLogP1.07
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-5-pyrrolidin-1-yl-4H-pyrazol-3-one
CID 70700769
5-(morpholin-4-ylmethyl)-2-phenyl-4H-pyrazol-3-one
CID 86175824
5-chloro-2-phenyl-4H-pyrazol-3-one
CID 18922596
3-phenyl-1,3-oxazolidine
CID 519787
N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methyl-5-oxo-1-phenyl-4H-pyrazole-3-carboxamide
CID 110164811
N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)formamide
CID 131880242
5-benzoyl-2-phenyl-4H-pyrazol-3-one
CID 12609851
(5-oxo-1-phenyl-4H-pyrazol-3-yl) formate
CID 90178800
1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-imino-3-phenylimidazolidin-4-one
CID 23607031
7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione
CID 12887277
4-morpholin-4-yl-N-phenylaniline
CID 159018746
azanylidyneazanium;4-phenylmorpholine;tetrafluoroborate
CID 88684350

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-2-phenyl-4H-pyrazol-3-one?
The IUPAC name of 5-morpholin-4-yl-2-phenyl-4H-pyrazol-3-one (CID 3528705) is 5-morpholin-4-yl-2-phenyl-4H-pyrazol-3-one.
What is the SMILES notation for 5-morpholin-4-yl-2-phenyl-4H-pyrazol-3-one?
The canonical SMILES for 5-morpholin-4-yl-2-phenyl-4H-pyrazol-3-one is O=C1CC(N2CCOCC2)=NN1c1ccccc1.
What is the InChIKey of 5-morpholin-4-yl-2-phenyl-4H-pyrazol-3-one?
The InChIKey is DQRCBHHVZDSBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-13-10-12(15-6-8-18-9-7-15)14-16(13)11-4-2-1-3-5-11/h1-5H,6-10H2.
What are the key properties of 5-morpholin-4-yl-2-phenyl-4H-pyrazol-3-one?
5-morpholin-4-yl-2-phenyl-4H-pyrazol-3-one has a molecular weight of 245.28 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-2-phenyl-4H-pyrazol-3-one is sourced from PubChem (CID 3528705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).