(4Z)-4-(morpholin-4-ylmethylidene)-2,5-diphenylpyrazol-3-one

C20H19N3O2 — CID 3038284

IUPAC(4Z)-4-(morpholin-4-ylmethylidene)-2,5-diphenylpyrazol-3-one
SMILESO=C1/C(=C\N2CCOCC2)C(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C20H19N3O2/c24-20-18(15-22-11-13-25-14-12-22)19(16-7-3-1-4-8-16)21-23(20)17-9-5-2-6-10-17/h1-10,15H,11-14H2/b18-15-
InChIKeyCUPOMUMCRLEFOB-SDXDJHTJSA-N
MW333.39 g/mol
LogP2.65
Rot. Bonds3

About (4Z)-4-(morpholin-4-ylmethylidene)-2,5-diphenylpyrazol-3-one

(4Z)-4-(morpholin-4-ylmethylidene)-2,5-diphenylpyrazol-3-one (PubChem CID 3038284) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is (4Z)-4-(morpholin-4-ylmethylidene)-2,5-diphenylpyrazol-3-one.

Molecular Properties

Compound Name(4Z)-4-(morpholin-4-ylmethylidene)-2,5-diphenylpyrazol-3-one
PubChem CID3038284
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name(4Z)-4-(morpholin-4-ylmethylidene)-2,5-diphenylpyrazol-3-one
SMILESO=C1/C(=C\N2CCOCC2)C(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C20H19N3O2/c24-20-18(15-22-11-13-25-14-12-22)19(16-7-3-1-4-8-16)21-23(20)17-9-5-2-6-10-17/h1-10,15H,11-14H2/b18-15-
InChIKeyCUPOMUMCRLEFOB-SDXDJHTJSA-N
XLogP2.65
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(morpholin-4-ylmethylidene)-2,5-diphenylpyrazol-3-one?
The IUPAC name of (4Z)-4-(morpholin-4-ylmethylidene)-2,5-diphenylpyrazol-3-one (CID 3038284) is (4Z)-4-(morpholin-4-ylmethylidene)-2,5-diphenylpyrazol-3-one.
What is the SMILES notation for (4Z)-4-(morpholin-4-ylmethylidene)-2,5-diphenylpyrazol-3-one?
The canonical SMILES for (4Z)-4-(morpholin-4-ylmethylidene)-2,5-diphenylpyrazol-3-one is O=C1/C(=C\N2CCOCC2)C(c2ccccc2)=NN1c1ccccc1.
What is the InChIKey of (4Z)-4-(morpholin-4-ylmethylidene)-2,5-diphenylpyrazol-3-one?
The InChIKey is CUPOMUMCRLEFOB-SDXDJHTJSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-20-18(15-22-11-13-25-14-12-22)19(16-7-3-1-4-8-16)21-23(20)17-9-5-2-6-10-17/h1-10,15H,11-14H2/b18-15-.
What are the key properties of (4Z)-4-(morpholin-4-ylmethylidene)-2,5-diphenylpyrazol-3-one?
(4Z)-4-(morpholin-4-ylmethylidene)-2,5-diphenylpyrazol-3-one has a molecular weight of 333.39 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(morpholin-4-ylmethylidene)-2,5-diphenylpyrazol-3-one is sourced from PubChem (CID 3038284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).