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

C23H21N3O2 — CID 1180684

IUPAC1,5-dimethyl-4-[[5-(2-methylphenyl)furan-2-yl]methylideneamino]-2-phenylpyrazol-3-one
SMILESCc1ccccc1-c1ccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)o1
InChIInChI=1S/C23H21N3O2/c1-16-9-7-8-12-20(16)21-14-13-19(28-21)15-24-22-17(2)25(3)26(23(22)27)18-10-5-4-6-11-18/h4-15H,1-3H3/b24-15+
InChIKeyYBWACMGZIDWSKP-BUVRLJJBSA-N
MW371.44 g/mol
LogP4.80
Rot. Bonds4

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

1,5-dimethyl-4-[[5-(2-methylphenyl)furan-2-yl]methylideneamino]-2-phenylpyrazol-3-one (PubChem CID 1180684) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1,5-dimethyl-4-[[5-(2-methylphenyl)furan-2-yl]methylideneamino]-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name1,5-dimethyl-4-[[5-(2-methylphenyl)furan-2-yl]methylideneamino]-2-phenylpyrazol-3-one
PubChem CID1180684
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name1,5-dimethyl-4-[[5-(2-methylphenyl)furan-2-yl]methylideneamino]-2-phenylpyrazol-3-one
SMILESCc1ccccc1-c1ccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)o1
InChIInChI=1S/C23H21N3O2/c1-16-9-7-8-12-20(16)21-14-13-19(28-21)15-24-22-17(2)25(3)26(23(22)27)18-10-5-4-6-11-18/h4-15H,1-3H3/b24-15+
InChIKeyYBWACMGZIDWSKP-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'}

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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
2-Methyl-N-(3-{N'-[(E)-(5-methylfuran-2-YL)methylidene]hydrazinecarbonyl}phenyl)benzamide
CID 46496243
4-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-ylamino)-methylene]-2-furan-2-ylmethyl-4H-isoquinoline-1,3-dione
CID 2998649
methyl 2-{5-[(5-oxo-1,3-diphenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-2-furyl}benzoate
CID 5736973
5-Methyl-2-furaldehyde benzyl(phenyl)hydrazone
CID 9681278
4-({(1E)-[5-(4-chlorophenyl)-2-furyl]methylene}amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
CID 649936
1,5-Dimethyl-2-phenyl-4-{[1-(5-m-tolyl-furan-2-yl)-meth-(E)-ylidene]-amino}-1,2-dihydro-pyrazol-3-one
CID 650314
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

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-[[5-(2-methylphenyl)furan-2-yl]methylideneamino]-2-phenylpyrazol-3-one?
The IUPAC name of 1,5-dimethyl-4-[[5-(2-methylphenyl)furan-2-yl]methylideneamino]-2-phenylpyrazol-3-one (CID 1180684) is 1,5-dimethyl-4-[[5-(2-methylphenyl)furan-2-yl]methylideneamino]-2-phenylpyrazol-3-one.
What is the SMILES notation for 1,5-dimethyl-4-[[5-(2-methylphenyl)furan-2-yl]methylideneamino]-2-phenylpyrazol-3-one?
The canonical SMILES for 1,5-dimethyl-4-[[5-(2-methylphenyl)furan-2-yl]methylideneamino]-2-phenylpyrazol-3-one is Cc1ccccc1-c1ccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)o1.
What is the InChIKey of 1,5-dimethyl-4-[[5-(2-methylphenyl)furan-2-yl]methylideneamino]-2-phenylpyrazol-3-one?
The InChIKey is YBWACMGZIDWSKP-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-16-9-7-8-12-20(16)21-14-13-19(28-21)15-24-22-17(2)25(3)26(23(22)27)18-10-5-4-6-11-18/h4-15H,1-3H3/b24-15+.
What are the key properties of 1,5-dimethyl-4-[[5-(2-methylphenyl)furan-2-yl]methylideneamino]-2-phenylpyrazol-3-one?
1,5-dimethyl-4-[[5-(2-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-(2-methylphenyl)furan-2-yl]methylideneamino]-2-phenylpyrazol-3-one is sourced from PubChem (CID 1180684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).