(4Z)-5-methyl-4-(morpholin-4-ylmethylidene)-2-phenylpyrazol-3-one

C15H17N3O2 — CID 3038062

IUPAC(4Z)-5-methyl-4-(morpholin-4-ylmethylidene)-2-phenylpyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)/C1=C\N1CCOCC1
InChIInChI=1S/C15H17N3O2/c1-12-14(11-17-7-9-20-10-8-17)15(19)18(16-12)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3/b14-11-
InChIKeyZITDFRFPRRUJBQ-KAMYIIQDSA-N
MW271.32 g/mol
LogP1.63
Rot. Bonds2

About (4Z)-5-methyl-4-(morpholin-4-ylmethylidene)-2-phenylpyrazol-3-one

(4Z)-5-methyl-4-(morpholin-4-ylmethylidene)-2-phenylpyrazol-3-one (PubChem CID 3038062) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is (4Z)-5-methyl-4-(morpholin-4-ylmethylidene)-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name(4Z)-5-methyl-4-(morpholin-4-ylmethylidene)-2-phenylpyrazol-3-one
PubChem CID3038062
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name(4Z)-5-methyl-4-(morpholin-4-ylmethylidene)-2-phenylpyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)/C1=C\N1CCOCC1
InChIInChI=1S/C15H17N3O2/c1-12-14(11-17-7-9-20-10-8-17)15(19)18(16-12)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3/b14-11-
InChIKeyZITDFRFPRRUJBQ-KAMYIIQDSA-N
XLogP1.63
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.63
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)-5-methyl-4-(morpholin-4-ylmethylidene)-2-phenylpyrazol-3-one?
The IUPAC name of (4Z)-5-methyl-4-(morpholin-4-ylmethylidene)-2-phenylpyrazol-3-one (CID 3038062) is (4Z)-5-methyl-4-(morpholin-4-ylmethylidene)-2-phenylpyrazol-3-one.
What is the SMILES notation for (4Z)-5-methyl-4-(morpholin-4-ylmethylidene)-2-phenylpyrazol-3-one?
The canonical SMILES for (4Z)-5-methyl-4-(morpholin-4-ylmethylidene)-2-phenylpyrazol-3-one is CC1=NN(c2ccccc2)C(=O)/C1=C\N1CCOCC1.
What is the InChIKey of (4Z)-5-methyl-4-(morpholin-4-ylmethylidene)-2-phenylpyrazol-3-one?
The InChIKey is ZITDFRFPRRUJBQ-KAMYIIQDSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-12-14(11-17-7-9-20-10-8-17)15(19)18(16-12)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3/b14-11-.
What are the key properties of (4Z)-5-methyl-4-(morpholin-4-ylmethylidene)-2-phenylpyrazol-3-one?
(4Z)-5-methyl-4-(morpholin-4-ylmethylidene)-2-phenylpyrazol-3-one has a molecular weight of 271.32 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-methyl-4-(morpholin-4-ylmethylidene)-2-phenylpyrazol-3-one is sourced from PubChem (CID 3038062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).