(4E)-5-methyl-2-phenyl-4-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]pyrazol-3-one

C24H18N4OS — CID 6509423

IUPAC(4E)-5-methyl-2-phenyl-4-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]pyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C24H18N4OS/c1-17-21(24(29)28(25-17)20-11-6-3-7-12-20)15-18-16-27(19-9-4-2-5-10-19)26-23(18)22-13-8-14-30-22/h2-16H,1H3/b21-15+
InChIKeyDYRIQPWQYDZHJE-RCCKNPSSSA-N
MW410.50 g/mol
LogP5.41
Rot. Bonds4

About (4E)-5-methyl-2-phenyl-4-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]pyrazol-3-one

(4E)-5-methyl-2-phenyl-4-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]pyrazol-3-one (PubChem CID 6509423) has the molecular formula C24H18N4OS and a molecular weight of 410.50 g/mol. Its IUPAC name is (4E)-5-methyl-2-phenyl-4-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]pyrazol-3-one.

Molecular Properties

Compound Name(4E)-5-methyl-2-phenyl-4-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]pyrazol-3-one
PubChem CID6509423
Molecular FormulaC24H18N4OS
Molecular Weight410.50 g/mol
Exact Mass410.12
IUPAC Name(4E)-5-methyl-2-phenyl-4-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]pyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C24H18N4OS/c1-17-21(24(29)28(25-17)20-11-6-3-7-12-20)15-18-16-27(19-9-4-2-5-10-19)26-23(18)22-13-8-14-30-22/h2-16H,1H3/b21-15+
InChIKeyDYRIQPWQYDZHJE-RCCKNPSSSA-N
XLogP5.41
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.50
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4E)-5-methyl-2-phenyl-4-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]pyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4Z)-5-methyl-4-[(3-naphthalen-1-yl-1-phenylpyrazol-4-yl)methylidene]-2-phenylpyrazol-3-one
CID 6197081
4-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 4700154
azane;5-methyl-2-phenyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one
CID 70272256
4-[(1,3-diphenylpyrazol-4-yl)methylidene]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-one
CID 139235497
(4E)-5-methyl-4-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-phenylpyrazol-3-one
CID 42917278
(5E)-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6271032
(4Z)-2-[(4-methoxyphenyl)methyl]-4-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]isoquinoline-1,3-dione
CID 2425327
(4Z)-4-[[3-[3-[(2-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 6192336
3-(2-methoxyethyl)-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4319338
4-[(2-bromophenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 132897067
5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3478215
(5Z)-3-cyclopentyl-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2139053

Frequently Asked Questions

What is the IUPAC name of (4E)-5-methyl-2-phenyl-4-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]pyrazol-3-one?
The IUPAC name of (4E)-5-methyl-2-phenyl-4-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]pyrazol-3-one (CID 6509423) is (4E)-5-methyl-2-phenyl-4-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]pyrazol-3-one.
What is the SMILES notation for (4E)-5-methyl-2-phenyl-4-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]pyrazol-3-one?
The canonical SMILES for (4E)-5-methyl-2-phenyl-4-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]pyrazol-3-one is CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of (4E)-5-methyl-2-phenyl-4-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]pyrazol-3-one?
The InChIKey is DYRIQPWQYDZHJE-RCCKNPSSSA-N. The full InChI is InChI=1S/C24H18N4OS/c1-17-21(24(29)28(25-17)20-11-6-3-7-12-20)15-18-16-27(19-9-4-2-5-10-19)26-23(18)22-13-8-14-30-22/h2-16H,1H3/b21-15+.
What are the key properties of (4E)-5-methyl-2-phenyl-4-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]pyrazol-3-one?
(4E)-5-methyl-2-phenyl-4-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]pyrazol-3-one has a molecular weight of 410.50 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5-methyl-2-phenyl-4-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]pyrazol-3-one is sourced from PubChem (CID 6509423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).