N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide

C26H20N4O2 — CID 164619795

IUPACN-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
SMILESCOc1ccc2ccccc2c1/C=N/NC(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1
InChIInChI=1S/C26H20N4O2/c1-32-25-13-12-18-7-4-5-9-21(18)22(25)16-27-30-26(31)24-15-23(28-29-24)20-11-10-17-6-2-3-8-19(17)14-20/h2-16H,1H3,(H,28,29)(H,30,31)/b27-16+
InChIKeyDGFVAMZZWLSGTF-JVWAILMASA-N
MW420.47 g/mol
LogP5.16
Rot. Bonds5

About N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide

N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 164619795) has the molecular formula C26H20N4O2 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
PubChem CID164619795
Molecular FormulaC26H20N4O2
Molecular Weight420.47 g/mol
Exact Mass420.16
IUPAC NameN-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
SMILESCOc1ccc2ccccc2c1/C=N/NC(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1
InChIInChI=1S/C26H20N4O2/c1-32-25-13-12-18-7-4-5-9-21(18)22(25)16-27-30-26(31)24-15-23(28-29-24)20-11-10-17-6-2-3-8-19(17)14-20/h2-16H,1H3,(H,28,29)(H,30,31)/b27-16+
InChIKeyDGFVAMZZWLSGTF-JVWAILMASA-N
XLogP5.16
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.47
LogP ≤ 55.16
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide (CID 164619795) is N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide is COc1ccc2ccccc2c1/C=N/NC(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1.
What is the InChIKey of N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide?
The InChIKey is DGFVAMZZWLSGTF-JVWAILMASA-N. The full InChI is InChI=1S/C26H20N4O2/c1-32-25-13-12-18-7-4-5-9-21(18)22(25)16-27-30-26(31)24-15-23(28-29-24)20-11-10-17-6-2-3-8-19(17)14-20/h2-16H,1H3,(H,28,29)(H,30,31)/b27-16+.
What are the key properties of N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide?
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 164619795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).