(4Z)-5-methyl-4-(4-methyl-1-phenylpent-2-enylidene)-2-phenylpyrazol-3-one

C22H22N2O — CID 59033998

IUPAC(4Z)-5-methyl-4-(4-methyl-1-phenylpent-2-enylidene)-2-phenylpyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)/C1=C(/C=CC(C)C)c1ccccc1
InChIInChI=1S/C22H22N2O/c1-16(2)14-15-20(18-10-6-4-7-11-18)21-17(3)23-24(22(21)25)19-12-8-5-9-13-19/h4-16H,1-3H3/b15-14?,21-20-
InChIKeyHAZJPAXDXNMZQV-KPSGCZKLSA-N
MW330.43 g/mol
LogP5.08
Rot. Bonds4

About (4Z)-5-methyl-4-(4-methyl-1-phenylpent-2-enylidene)-2-phenylpyrazol-3-one

(4Z)-5-methyl-4-(4-methyl-1-phenylpent-2-enylidene)-2-phenylpyrazol-3-one (PubChem CID 59033998) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is (4Z)-5-methyl-4-(4-methyl-1-phenylpent-2-enylidene)-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name(4Z)-5-methyl-4-(4-methyl-1-phenylpent-2-enylidene)-2-phenylpyrazol-3-one
PubChem CID59033998
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name(4Z)-5-methyl-4-(4-methyl-1-phenylpent-2-enylidene)-2-phenylpyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)/C1=C(/C=CC(C)C)c1ccccc1
InChIInChI=1S/C22H22N2O/c1-16(2)14-15-20(18-10-6-4-7-11-18)21-17(3)23-24(22(21)25)19-12-8-5-9-13-19/h4-16H,1-3H3/b15-14?,21-20-
InChIKeyHAZJPAXDXNMZQV-KPSGCZKLSA-N
XLogP5.08
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.08
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

4-[3-(4-chlorophenyl)-1-phenylprop-2-enylidene]-5-methyl-2-phenylpyrazol-3-one
CID 23850513
(4E)-4-[(Z)-3-(5-chloro-2-hydroxyphenyl)-1-(4-methylphenyl)prop-2-enylidene]-5-methyl-2-phenylpyrazol-3-one
CID 136701197
(4E)-4-[(E)-1-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enylidene]-5-methyl-2-phenylpyrazol-3-one
CID 5340726
(4E)-4-[(Z)-3-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)prop-2-enylidene]-5-methyl-2-phenylpyrazol-3-one
CID 92948116
5-methyl-4-[[2-[[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-phenylmethyl]amino]anilino]-phenylmethylidene]-2-phenylpyrazol-3-one
CID 6843684
(4Z)-4-[1-(dimethylamino)ethylidene]-5-methyl-2-phenylpyrazol-3-one
CID 177488146
(4Z)-5-methyl-4-[[2-[2-[[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-phenylmethyl]amino]phenyl]anilino]-phenylmethylidene]-2-phenylpyrazol-3-one
CID 6113219
imino-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)azanium
CID 6334003
azane;5-methyl-2-phenyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one
CID 70272256
3-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]benzoic acid
CID 5395422
3-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]benzoic acid
CID 6537397
(4E)-4-(5-benzoyl-3-phenyl-1,3,4-thiadiazol-2-ylidene)-5-methyl-2-phenylpyrazol-3-one
CID 2816219

Frequently Asked Questions

What is the IUPAC name of (4Z)-5-methyl-4-(4-methyl-1-phenylpent-2-enylidene)-2-phenylpyrazol-3-one?
The IUPAC name of (4Z)-5-methyl-4-(4-methyl-1-phenylpent-2-enylidene)-2-phenylpyrazol-3-one (CID 59033998) is (4Z)-5-methyl-4-(4-methyl-1-phenylpent-2-enylidene)-2-phenylpyrazol-3-one.
What is the SMILES notation for (4Z)-5-methyl-4-(4-methyl-1-phenylpent-2-enylidene)-2-phenylpyrazol-3-one?
The canonical SMILES for (4Z)-5-methyl-4-(4-methyl-1-phenylpent-2-enylidene)-2-phenylpyrazol-3-one is CC1=NN(c2ccccc2)C(=O)/C1=C(/C=CC(C)C)c1ccccc1.
What is the InChIKey of (4Z)-5-methyl-4-(4-methyl-1-phenylpent-2-enylidene)-2-phenylpyrazol-3-one?
The InChIKey is HAZJPAXDXNMZQV-KPSGCZKLSA-N. The full InChI is InChI=1S/C22H22N2O/c1-16(2)14-15-20(18-10-6-4-7-11-18)21-17(3)23-24(22(21)25)19-12-8-5-9-13-19/h4-16H,1-3H3/b15-14?,21-20-.
What are the key properties of (4Z)-5-methyl-4-(4-methyl-1-phenylpent-2-enylidene)-2-phenylpyrazol-3-one?
(4Z)-5-methyl-4-(4-methyl-1-phenylpent-2-enylidene)-2-phenylpyrazol-3-one has a molecular weight of 330.43 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-methyl-4-(4-methyl-1-phenylpent-2-enylidene)-2-phenylpyrazol-3-one is sourced from PubChem (CID 59033998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).