N-[(E)-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylaniline

C25H24N4 — CID 21236227

IUPACN-[(E)-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylaniline
SMILESCCc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Nc2ccc(C)cc2)cc1
InChIInChI=1S/C25H24N4/c1-3-20-11-13-21(14-12-20)25-22(17-26-27-23-15-9-19(2)10-16-23)18-29(28-25)24-7-5-4-6-8-24/h4-18,27H,3H2,1-2H3/b26-17+
InChIKeyRDIUGHRXDFGPIK-YZSQISJMSA-N
MW380.50 g/mol
LogP5.86
Rot. Bonds6

About N-[(E)-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylaniline

N-[(E)-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylaniline (PubChem CID 21236227) has the molecular formula C25H24N4 and a molecular weight of 380.50 g/mol. Its IUPAC name is N-[(E)-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylaniline.

Molecular Properties

Compound NameN-[(E)-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylaniline
PubChem CID21236227
Molecular FormulaC25H24N4
Molecular Weight380.50 g/mol
Exact Mass380.20
IUPAC NameN-[(E)-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylaniline
SMILESCCc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Nc2ccc(C)cc2)cc1
InChIInChI=1S/C25H24N4/c1-3-20-11-13-21(14-12-20)25-22(17-26-27-23-15-9-19(2)10-16-23)18-29(28-25)24-7-5-4-6-8-24/h4-18,27H,3H2,1-2H3/b26-17+
InChIKeyRDIUGHRXDFGPIK-YZSQISJMSA-N
XLogP5.86
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.50
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzenesulfonamide
CID 1360492
N-[(E)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzenesulfonamide
CID 6896191
N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]tridecanamide
CID 2856899
2-(4-ethylphenoxy)-N-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide
CID 4123323
2-chloro-N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]aniline
CID 4185428
4-[3-(4-boronophenyl)-4-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]pyrazol-1-yl]benzoic acid
CID 172942409
N-cyclopropyl-N'-[(Z)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide
CID 9352555
4,6-dimethyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]pyrimidin-2-amine
CID 8971405
N-[[3-[4-(difluoromethoxy)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]-4-fluoroaniline
CID 3646599
4-chloro-N-[(E)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 6872953
N-[(Z)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-pyrrolidin-1-ium-1-ylacetamide
CID 7270875
4-[(4-methylphenyl)methoxy]-N-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]benzamide
CID 45055061

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylaniline?
The IUPAC name of N-[(E)-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylaniline (CID 21236227) is N-[(E)-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylaniline.
What is the SMILES notation for N-[(E)-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylaniline?
The canonical SMILES for N-[(E)-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylaniline is CCc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Nc2ccc(C)cc2)cc1.
What is the InChIKey of N-[(E)-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylaniline?
The InChIKey is RDIUGHRXDFGPIK-YZSQISJMSA-N. The full InChI is InChI=1S/C25H24N4/c1-3-20-11-13-21(14-12-20)25-22(17-26-27-23-15-9-19(2)10-16-23)18-29(28-25)24-7-5-4-6-8-24/h4-18,27H,3H2,1-2H3/b26-17+.
What are the key properties of N-[(E)-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylaniline?
N-[(E)-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylaniline has a molecular weight of 380.50 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylaniline is sourced from PubChem (CID 21236227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).