(4E)-5-methyl-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-one

C19H16N2O — CID 6339121

IUPAC(4E)-5-methyl-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)/C1=C/C=C/c1ccccc1
InChIInChI=1S/C19H16N2O/c1-15-18(14-8-11-16-9-4-2-5-10-16)19(22)21(20-15)17-12-6-3-7-13-17/h2-14H,1H3/b11-8+,18-14+
InChIKeyNBPIVZCAUUWNER-DWRJGLHPSA-N
MW288.35 g/mol
LogP4.05
Rot. Bonds3

About (4E)-5-methyl-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-one

(4E)-5-methyl-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-one (PubChem CID 6339121) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is (4E)-5-methyl-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-one.

Molecular Properties

Compound Name(4E)-5-methyl-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-one
PubChem CID6339121
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name(4E)-5-methyl-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)/C1=C/C=C/c1ccccc1
InChIInChI=1S/C19H16N2O/c1-15-18(14-8-11-16-9-4-2-5-10-16)19(22)21(20-15)17-12-6-3-7-13-17/h2-14H,1H3/b11-8+,18-14+
InChIKeyNBPIVZCAUUWNER-DWRJGLHPSA-N
XLogP4.05
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

(4E)-5-methyl-4-[(E)-3-phenylprop-2-enylidene]-2-[3-(trifluoromethyl)phenyl]pyrazol-3-one
CID 5441504
ethyl 4-(4-cinnamylidene-3-methyl-5-oxopyrazol-1-yl)benzoate
CID 71833163
2-chloro-5-[(4Z)-3-methyl-5-oxo-4-[(Z)-3-phenylprop-2-enylidene]pyrazol-1-yl]benzoic acid
CID 97465873
(4E)-4-(dimethylaminomethylidene)-5-methyl-2-phenylpyrazol-3-one
CID 2799571
(4E)-4-[(4-fluorophenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 6537766
4-[(3-chlorophenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 132892700
amino 4-[(4Z)-4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonate
CID 18339059
(4Z)-4-benzylidene-2-(4-chlorophenyl)-5-methylpyrazol-3-one
CID 6116222
(4E)-4-[(3-iodophenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 6533659
(4Z)-5-methyl-2-phenyl-4-[(N-phenylanilino)methylidene]pyrazol-3-one
CID 6081178
(4E)-4-[(4-ethylphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 692965
4-benzylidene-5-methyl-2-(3-methylphenyl)pyrazol-3-one
CID 171480666

Frequently Asked Questions

What is the IUPAC name of (4E)-5-methyl-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-one?
The IUPAC name of (4E)-5-methyl-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-one (CID 6339121) is (4E)-5-methyl-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-one.
What is the SMILES notation for (4E)-5-methyl-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-one?
The canonical SMILES for (4E)-5-methyl-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-one is CC1=NN(c2ccccc2)C(=O)/C1=C/C=C/c1ccccc1.
What is the InChIKey of (4E)-5-methyl-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-one?
The InChIKey is NBPIVZCAUUWNER-DWRJGLHPSA-N. The full InChI is InChI=1S/C19H16N2O/c1-15-18(14-8-11-16-9-4-2-5-10-16)19(22)21(20-15)17-12-6-3-7-13-17/h2-14H,1H3/b11-8+,18-14+.
What are the key properties of (4E)-5-methyl-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-one?
(4E)-5-methyl-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-one has a molecular weight of 288.35 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5-methyl-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-one is sourced from PubChem (CID 6339121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).