(4Z)-5-methyl-2-phenyl-4-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]pyrazol-3-one

C23H23N3O — CID 5367004

IUPAC(4Z)-5-methyl-2-phenyl-4-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]pyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)/C1=C\C=C1\N(C)c2ccccc2C1(C)C
InChIInChI=1S/C23H23N3O/c1-16-18(22(27)26(24-16)17-10-6-5-7-11-17)14-15-21-23(2,3)19-12-8-9-13-20(19)25(21)4/h5-15H,1-4H3/b18-14-,21-15+
InChIKeyVANSFRDHZRBRTF-IVUDTHCKSA-N
MW357.46 g/mol
LogP4.65
Rot. Bonds2

About (4Z)-5-methyl-2-phenyl-4-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]pyrazol-3-one

(4Z)-5-methyl-2-phenyl-4-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]pyrazol-3-one (PubChem CID 5367004) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is (4Z)-5-methyl-2-phenyl-4-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]pyrazol-3-one.

Molecular Properties

Compound Name(4Z)-5-methyl-2-phenyl-4-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]pyrazol-3-one
PubChem CID5367004
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name(4Z)-5-methyl-2-phenyl-4-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]pyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)/C1=C\C=C1\N(C)c2ccccc2C1(C)C
InChIInChI=1S/C23H23N3O/c1-16-18(22(27)26(24-16)17-10-6-5-7-11-17)14-15-21-23(2,3)19-12-8-9-13-20(19)25(21)4/h5-15H,1-4H3/b18-14-,21-15+
InChIKeyVANSFRDHZRBRTF-IVUDTHCKSA-N
XLogP4.65
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.65
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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Related Compounds

4-(4-Dimethylamino-benzylidene)-2-(3-fluoro-phenyl)-5-methyl-2,4-dihydro-pyrazol-3-one
CID 5284927
(4E)-5-methyl-4-(3-methylbenzylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 5947157
6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-phenylpyridazin-3-one
CID 44539976
2-(4-fluorophenyl)-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one
CID 44540072
1-Phenyl-3-methyl-4-benzal-5-pyrazolone
CID 309224
3H-Pyrazol-3-one, 4-[[4-(dimethylamino)phenyl]methylene]-2,4-dihydro-5-methyl-2-phenyl-
CID 5472494
5-Methyl-2-phenylpyridazino[4,3-b]indol-3-one
CID 664293
1-Methyl-3-[(methylphenylamino)azamethylene]benzo[d]azolin-2-one
CID 5331878
2-Benzyl-4-(4-dimethylamino-benzylidene)-5-methyl-2,4-dihydro-pyrazol-3-one
CID 5404921
(4Z)-5-methyl-2-phenyl-4-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]pyrazol-3-one
CID 5440998
5-methyl-2-phenyl-4-(3-phenyl-2-propenylidene)-2,4-dihydro-3H-pyrazol-3-one
CID 6339121
CID 6372735
CID 6372735

Frequently Asked Questions

What is the IUPAC name of (4Z)-5-methyl-2-phenyl-4-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]pyrazol-3-one?
The IUPAC name of (4Z)-5-methyl-2-phenyl-4-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]pyrazol-3-one (CID 5367004) is (4Z)-5-methyl-2-phenyl-4-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]pyrazol-3-one.
What is the SMILES notation for (4Z)-5-methyl-2-phenyl-4-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]pyrazol-3-one?
The canonical SMILES for (4Z)-5-methyl-2-phenyl-4-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]pyrazol-3-one is CC1=NN(c2ccccc2)C(=O)/C1=C\C=C1\N(C)c2ccccc2C1(C)C.
What is the InChIKey of (4Z)-5-methyl-2-phenyl-4-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]pyrazol-3-one?
The InChIKey is VANSFRDHZRBRTF-IVUDTHCKSA-N. The full InChI is InChI=1S/C23H23N3O/c1-16-18(22(27)26(24-16)17-10-6-5-7-11-17)14-15-21-23(2,3)19-12-8-9-13-20(19)25(21)4/h5-15H,1-4H3/b18-14-,21-15+.
What are the key properties of (4Z)-5-methyl-2-phenyl-4-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]pyrazol-3-one?
(4Z)-5-methyl-2-phenyl-4-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]pyrazol-3-one has a molecular weight of 357.46 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-methyl-2-phenyl-4-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]pyrazol-3-one is sourced from PubChem (CID 5367004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).