N-[(E)-(4-ethylphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide

C20H20N4O — CID 6867339

IUPACN-[(E)-(4-ethylphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCCc1ccc(/C=N/NC(=O)c2[nH]nc(-c3ccccc3)c2C)cc1
InChIInChI=1S/C20H20N4O/c1-3-15-9-11-16(12-10-15)13-21-24-20(25)19-14(2)18(22-23-19)17-7-5-4-6-8-17/h4-13H,3H2,1-2H3,(H,22,23)(H,24,25)/b21-13+
InChIKeyUOXFFQIJXFLZTQ-FYJGNVAPSA-N
MW332.41 g/mol
LogP3.71
Rot. Bonds5

About N-[(E)-(4-ethylphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide

N-[(E)-(4-ethylphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 6867339) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[(E)-(4-ethylphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-ethylphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID6867339
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-[(E)-(4-ethylphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCCc1ccc(/C=N/NC(=O)c2[nH]nc(-c3ccccc3)c2C)cc1
InChIInChI=1S/C20H20N4O/c1-3-15-9-11-16(12-10-15)13-21-24-20(25)19-14(2)18(22-23-19)17-7-5-4-6-8-17/h4-13H,3H2,1-2H3,(H,22,23)(H,24,25)/b21-13+
InChIKeyUOXFFQIJXFLZTQ-FYJGNVAPSA-N
XLogP3.71
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-ethylphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(E)-(4-ethylphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide (CID 6867339) is N-[(E)-(4-ethylphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(E)-(4-ethylphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(E)-(4-ethylphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide is CCc1ccc(/C=N/NC(=O)c2[nH]nc(-c3ccccc3)c2C)cc1.
What is the InChIKey of N-[(E)-(4-ethylphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is UOXFFQIJXFLZTQ-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H20N4O/c1-3-15-9-11-16(12-10-15)13-21-24-20(25)19-14(2)18(22-23-19)17-7-5-4-6-8-17/h4-13H,3H2,1-2H3,(H,22,23)(H,24,25)/b21-13+.
What are the key properties of N-[(E)-(4-ethylphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide?
N-[(E)-(4-ethylphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-ethylphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 6867339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).