N-[(Z)-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide

C25H24N4O2 — CID 8518699

IUPACN-[(Z)-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=O)c2cc(C)oc2C)c(C)c1
InChIInChI=1S/C25H24N4O2/c1-16-10-11-22(17(2)12-16)24-20(15-29(28-24)21-8-6-5-7-9-21)14-26-27-25(30)23-13-18(3)31-19(23)4/h5-15H,1-4H3,(H,27,30)/b26-14-
InChIKeyOHLVZCNJQQEYPS-WGARJPEWSA-N
MW412.49 g/mol
LogP5.13
Rot. Bonds5

About N-[(Z)-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide

N-[(Z)-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide (PubChem CID 8518699) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[(Z)-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide
PubChem CID8518699
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC NameN-[(Z)-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=O)c2cc(C)oc2C)c(C)c1
InChIInChI=1S/C25H24N4O2/c1-16-10-11-22(17(2)12-16)24-20(15-29(28-24)21-8-6-5-7-9-21)14-26-27-25(30)23-13-18(3)31-19(23)4/h5-15H,1-4H3,(H,27,30)/b26-14-
InChIKeyOHLVZCNJQQEYPS-WGARJPEWSA-N
XLogP5.13
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-N-[(E)-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylideneamino]furan-3-carboxamide
CID 6903034
N'-(2,5-dimethylfuran-3-carbonyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carbohydrazide
CID 26247359
[4,5-diacetyloxy-2-[[(Z)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]carbamoyl]phenyl] acetate
CID 139220582
5-bromo-N-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]furan-2-carboxamide
CID 6267958
2-chloro-N-[(E)-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 75460469
4-chloro-N-[(E)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 6872953
N-[(E)-(2-fluorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 6893755
N-[(Z)-(2-fluorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 5412703
N-[(2-chlorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 760437
4-methoxy-N-[[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 3532181
2-fluoro-N-[(Z)-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 9235806
3-methyl-N-[(Z)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]benzamide
CID 6249243

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(Z)-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide (CID 8518699) is N-[(Z)-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(Z)-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(Z)-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide is Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=O)c2cc(C)oc2C)c(C)c1.
What is the InChIKey of N-[(Z)-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is OHLVZCNJQQEYPS-WGARJPEWSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-16-10-11-22(17(2)12-16)24-20(15-29(28-24)21-8-6-5-7-9-21)14-26-27-25(30)23-13-18(3)31-19(23)4/h5-15H,1-4H3,(H,27,30)/b26-14-.
What are the key properties of N-[(Z)-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide?
N-[(Z)-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 8518699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).