(4Z)-2,5-diphenyl-4-[(5-phenylfuran-2-yl)methylidene]pyrazol-3-one

C26H18N2O2 — CID 127043643

IUPAC(4Z)-2,5-diphenyl-4-[(5-phenylfuran-2-yl)methylidene]pyrazol-3-one
SMILESO=C1/C(=C\c2ccc(-c3ccccc3)o2)C(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C26H18N2O2/c29-26-23(18-22-16-17-24(30-22)19-10-4-1-5-11-19)25(20-12-6-2-7-13-20)27-28(26)21-14-8-3-9-15-21/h1-18H/b23-18-
InChIKeyQPKMQJHQRSKMGY-NKFKGCMQSA-N
MW390.44 g/mol
LogP5.78
Rot. Bonds4

About (4Z)-2,5-diphenyl-4-[(5-phenylfuran-2-yl)methylidene]pyrazol-3-one

(4Z)-2,5-diphenyl-4-[(5-phenylfuran-2-yl)methylidene]pyrazol-3-one (PubChem CID 127043643) has the molecular formula C26H18N2O2 and a molecular weight of 390.44 g/mol. Its IUPAC name is (4Z)-2,5-diphenyl-4-[(5-phenylfuran-2-yl)methylidene]pyrazol-3-one.

Molecular Properties

Compound Name(4Z)-2,5-diphenyl-4-[(5-phenylfuran-2-yl)methylidene]pyrazol-3-one
PubChem CID127043643
Molecular FormulaC26H18N2O2
Molecular Weight390.44 g/mol
Exact Mass390.14
IUPAC Name(4Z)-2,5-diphenyl-4-[(5-phenylfuran-2-yl)methylidene]pyrazol-3-one
SMILESO=C1/C(=C\c2ccc(-c3ccccc3)o2)C(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C26H18N2O2/c29-26-23(18-22-16-17-24(30-22)19-10-4-1-5-11-19)25(20-12-6-2-7-13-20)27-28(26)21-14-8-3-9-15-21/h1-18H/b23-18-
InChIKeyQPKMQJHQRSKMGY-NKFKGCMQSA-N
XLogP5.78
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.44
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-2,5-diphenyl-4-[(5-phenylfuran-2-yl)methylidene]pyrazol-3-one?
The IUPAC name of (4Z)-2,5-diphenyl-4-[(5-phenylfuran-2-yl)methylidene]pyrazol-3-one (CID 127043643) is (4Z)-2,5-diphenyl-4-[(5-phenylfuran-2-yl)methylidene]pyrazol-3-one.
What is the SMILES notation for (4Z)-2,5-diphenyl-4-[(5-phenylfuran-2-yl)methylidene]pyrazol-3-one?
The canonical SMILES for (4Z)-2,5-diphenyl-4-[(5-phenylfuran-2-yl)methylidene]pyrazol-3-one is O=C1/C(=C\c2ccc(-c3ccccc3)o2)C(c2ccccc2)=NN1c1ccccc1.
What is the InChIKey of (4Z)-2,5-diphenyl-4-[(5-phenylfuran-2-yl)methylidene]pyrazol-3-one?
The InChIKey is QPKMQJHQRSKMGY-NKFKGCMQSA-N. The full InChI is InChI=1S/C26H18N2O2/c29-26-23(18-22-16-17-24(30-22)19-10-4-1-5-11-19)25(20-12-6-2-7-13-20)27-28(26)21-14-8-3-9-15-21/h1-18H/b23-18-.
What are the key properties of (4Z)-2,5-diphenyl-4-[(5-phenylfuran-2-yl)methylidene]pyrazol-3-one?
(4Z)-2,5-diphenyl-4-[(5-phenylfuran-2-yl)methylidene]pyrazol-3-one has a molecular weight of 390.44 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2,5-diphenyl-4-[(5-phenylfuran-2-yl)methylidene]pyrazol-3-one is sourced from PubChem (CID 127043643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).