N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]naphthalene-2-carboxamide

C21H16N4O — CID 135958015

IUPACN-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]naphthalene-2-carboxamide
SMILESO=C(N/N=C\c1cn[nH]c1-c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C21H16N4O/c26-21(18-11-10-15-6-4-5-9-17(15)12-18)25-23-14-19-13-22-24-20(19)16-7-2-1-3-8-16/h1-14H,(H,22,24)(H,25,26)/b23-14-
InChIKeyCEKMIQDUMBQGHL-UCQKPKSFSA-N
MW340.39 g/mol
LogP3.99
Rot. Bonds4

About N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]naphthalene-2-carboxamide

N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]naphthalene-2-carboxamide (PubChem CID 135958015) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]naphthalene-2-carboxamide
PubChem CID135958015
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC NameN-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]naphthalene-2-carboxamide
SMILESO=C(N/N=C\c1cn[nH]c1-c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C21H16N4O/c26-21(18-11-10-15-6-4-5-9-17(15)12-18)25-23-14-19-13-22-24-20(19)16-7-2-1-3-8-16/h1-14H,(H,22,24)(H,25,26)/b23-14-
InChIKeyCEKMIQDUMBQGHL-UCQKPKSFSA-N
XLogP3.99
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.99
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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Related Compounds

N-[(E)-[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]naphthalene-2-carboxamide
CID 135621572
N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide
CID 136900537
4-fluoro-N-[(E)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide
CID 135685168
4-fluoro-N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 135517068
4-hydroxy-3-methoxy-N-[(Z)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide
CID 135647372
N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 135425046
N-[(Z)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 135620182
N-[(E)-(2-hydroxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 135608250
3-ethoxy-N-[(E)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide
CID 135684065
3-bromo-N-[(Z)-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide
CID 135892470
4-bromo-N-[(Z)-[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide
CID 135892472
N-[(Z)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-hydroxybenzamide
CID 136728460

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]naphthalene-2-carboxamide?
The IUPAC name of N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]naphthalene-2-carboxamide (CID 135958015) is N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]naphthalene-2-carboxamide?
The canonical SMILES for N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]naphthalene-2-carboxamide is O=C(N/N=C\c1cn[nH]c1-c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]naphthalene-2-carboxamide?
The InChIKey is CEKMIQDUMBQGHL-UCQKPKSFSA-N. The full InChI is InChI=1S/C21H16N4O/c26-21(18-11-10-15-6-4-5-9-17(15)12-18)25-23-14-19-13-22-24-20(19)16-7-2-1-3-8-16/h1-14H,(H,22,24)(H,25,26)/b23-14-.
What are the key properties of N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]naphthalene-2-carboxamide?
N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]naphthalene-2-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]naphthalene-2-carboxamide is sourced from PubChem (CID 135958015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).