1,5-dimethyl-4-[[5-(3-methylphenyl)furan-2-yl]methylideneamino]-2-phenylpyrazol-3-one

C23H21N3O2 — CID 650314

IUPAC1,5-dimethyl-4-[[5-(3-methylphenyl)furan-2-yl]methylideneamino]-2-phenylpyrazol-3-one
SMILESCc1cccc(-c2ccc(/C=N/c3c(C)n(C)n(-c4ccccc4)c3=O)o2)c1
InChIInChI=1S/C23H21N3O2/c1-16-8-7-9-18(14-16)21-13-12-20(28-21)15-24-22-17(2)25(3)26(23(22)27)19-10-5-4-6-11-19/h4-15H,1-3H3/b24-15+
InChIKeySEODKLQGXIXELB-BUVRLJJBSA-N
MW371.44 g/mol
LogP4.80
Rot. Bonds4

About 1,5-dimethyl-4-[[5-(3-methylphenyl)furan-2-yl]methylideneamino]-2-phenylpyrazol-3-one

1,5-dimethyl-4-[[5-(3-methylphenyl)furan-2-yl]methylideneamino]-2-phenylpyrazol-3-one (PubChem CID 650314) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1,5-dimethyl-4-[[5-(3-methylphenyl)furan-2-yl]methylideneamino]-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name1,5-dimethyl-4-[[5-(3-methylphenyl)furan-2-yl]methylideneamino]-2-phenylpyrazol-3-one
PubChem CID650314
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name1,5-dimethyl-4-[[5-(3-methylphenyl)furan-2-yl]methylideneamino]-2-phenylpyrazol-3-one
SMILESCc1cccc(-c2ccc(/C=N/c3c(C)n(C)n(-c4ccccc4)c3=O)o2)c1
InChIInChI=1S/C23H21N3O2/c1-16-8-7-9-18(14-16)21-13-12-20(28-21)15-24-22-17(2)25(3)26(23(22)27)19-10-5-4-6-11-19/h4-15H,1-3H3/b24-15+
InChIKeySEODKLQGXIXELB-BUVRLJJBSA-N
XLogP4.80
TPSA52.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1,5-dimethyl-4-[[5-(3-methylphenyl)furan-2-yl]methylideneamino]-2-phenylpyrazol-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

N,N-dimethyl-4-[3-(5-methyl-2-furyl)-1-propionyl-4,5-dihydro-1H-pyrazol-5-yl]aniline
CID 2960215
(E)-4-((furan-2-ylmethylene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
CID 624533
1,5-Dimethyl-4-({(E)-[5-(2-methylphenyl)-2-furyl]methylidene}amino)-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
CID 1180684
5-Methyl-2-furaldehyde benzyl(phenyl)hydrazone
CID 9681278
5-(Furan-2-yl)-2,3-diphenyl-3,4-dihydropyrazole
CID 4737250
3-Methyl-N-(4-{N'-[(E)-(5-methylfuran-2-YL)methylidene]hydrazinecarbonyl}phenyl)benzamide
CID 46496348
4-({(1E)-[5-(4-chlorophenyl)-2-furyl]methylene}amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
CID 649936
2-[(4-methylphenyl)amino]-N'-[(E)-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene]acetohydrazide (non-preferred name)
CID 6881317
4-((p-Methoxyphenacylidene)amino)antipyrine
CID 212523
1,5-dimethyl-4-({(E)-[5-(3-nitrophenyl)furan-2-yl]methylidene}amino)-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
CID 1132261
3-{5-[(1E)-2-(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))-2-azavinyl]-2-fur yl}benzoic acid
CID 1269526
(4Z)-2,5-diphenyl-4-[(5-phenylfuran-2-yl)methylidene]pyrazol-3-one
CID 127043643

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-[[5-(3-methylphenyl)furan-2-yl]methylideneamino]-2-phenylpyrazol-3-one?
The IUPAC name of 1,5-dimethyl-4-[[5-(3-methylphenyl)furan-2-yl]methylideneamino]-2-phenylpyrazol-3-one (CID 650314) is 1,5-dimethyl-4-[[5-(3-methylphenyl)furan-2-yl]methylideneamino]-2-phenylpyrazol-3-one.
What is the SMILES notation for 1,5-dimethyl-4-[[5-(3-methylphenyl)furan-2-yl]methylideneamino]-2-phenylpyrazol-3-one?
The canonical SMILES for 1,5-dimethyl-4-[[5-(3-methylphenyl)furan-2-yl]methylideneamino]-2-phenylpyrazol-3-one is Cc1cccc(-c2ccc(/C=N/c3c(C)n(C)n(-c4ccccc4)c3=O)o2)c1.
What is the InChIKey of 1,5-dimethyl-4-[[5-(3-methylphenyl)furan-2-yl]methylideneamino]-2-phenylpyrazol-3-one?
The InChIKey is SEODKLQGXIXELB-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-16-8-7-9-18(14-16)21-13-12-20(28-21)15-24-22-17(2)25(3)26(23(22)27)19-10-5-4-6-11-19/h4-15H,1-3H3/b24-15+.
What are the key properties of 1,5-dimethyl-4-[[5-(3-methylphenyl)furan-2-yl]methylideneamino]-2-phenylpyrazol-3-one?
1,5-dimethyl-4-[[5-(3-methylphenyl)furan-2-yl]methylideneamino]-2-phenylpyrazol-3-one has a molecular weight of 371.44 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-[[5-(3-methylphenyl)furan-2-yl]methylideneamino]-2-phenylpyrazol-3-one is sourced from PubChem (CID 650314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).