N-[(E)-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methylideneamino]naphthalene-1-carboxamide

C23H20N4O — CID 135621574

IUPACN-[(E)-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methylideneamino]naphthalene-1-carboxamide
SMILESCCc1ccc(-c2[nH]ncc2/C=N/NC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C23H20N4O/c1-2-16-10-12-18(13-11-16)22-19(14-24-26-22)15-25-27-23(28)21-9-5-7-17-6-3-4-8-20(17)21/h3-15H,2H2,1H3,(H,24,26)(H,27,28)/b25-15+
InChIKeyDPEWFLADQINWDP-MFKUBSTISA-N
MW368.44 g/mol
LogP4.56
Rot. Bonds5

About N-[(E)-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methylideneamino]naphthalene-1-carboxamide

N-[(E)-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methylideneamino]naphthalene-1-carboxamide (PubChem CID 135621574) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[(E)-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methylideneamino]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methylideneamino]naphthalene-1-carboxamide
PubChem CID135621574
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC NameN-[(E)-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methylideneamino]naphthalene-1-carboxamide
SMILESCCc1ccc(-c2[nH]ncc2/C=N/NC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C23H20N4O/c1-2-16-10-12-18(13-11-16)22-19(14-24-26-22)15-25-27-23(28)21-9-5-7-17-6-3-4-8-20(17)21/h3-15H,2H2,1H3,(H,24,26)(H,27,28)/b25-15+
InChIKeyDPEWFLADQINWDP-MFKUBSTISA-N
XLogP4.56
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.56
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'}

Analyze N-[(E)-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methylideneamino]naphthalene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methylideneamino]-1-benzothiophene-3-carboxamide
CID 135621581
3-bromo-N-[(Z)-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide
CID 135892470
N-[(4-ethylphenyl)methylideneamino]naphthalene-1-carboxamide
CID 4249042
N-[(Z)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-hydroxybenzamide
CID 136728460
N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide
CID 136900537
N-[(E)-[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]naphthalene-2-carboxamide
CID 135621572
4-bromo-3-chloro-N-[(E)-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methylideneamino]-1-benzothiophene-2-carboxamide
CID 135621591
4-ethyl-N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-5-methylthiophene-3-carboxamide
CID 135521407
N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]naphthalene-2-carboxamide
CID 135958015
3-ethoxy-N-[(E)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide
CID 135684065
2,5-dichloro-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide
CID 1014831
N-[(Z)-[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]thiophene-2-carboxamide
CID 135647508

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methylideneamino]naphthalene-1-carboxamide?
The IUPAC name of N-[(E)-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methylideneamino]naphthalene-1-carboxamide (CID 135621574) is N-[(E)-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methylideneamino]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(E)-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methylideneamino]naphthalene-1-carboxamide?
The canonical SMILES for N-[(E)-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methylideneamino]naphthalene-1-carboxamide is CCc1ccc(-c2[nH]ncc2/C=N/NC(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[(E)-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methylideneamino]naphthalene-1-carboxamide?
The InChIKey is DPEWFLADQINWDP-MFKUBSTISA-N. The full InChI is InChI=1S/C23H20N4O/c1-2-16-10-12-18(13-11-16)22-19(14-24-26-22)15-25-27-23(28)21-9-5-7-17-6-3-4-8-20(17)21/h3-15H,2H2,1H3,(H,24,26)(H,27,28)/b25-15+.
What are the key properties of N-[(E)-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methylideneamino]naphthalene-1-carboxamide?
N-[(E)-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methylideneamino]naphthalene-1-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methylideneamino]naphthalene-1-carboxamide is sourced from PubChem (CID 135621574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).