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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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).