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

C22H18N4O2 — CID 5342734

IUPACN-[(E)-(3-methoxyphenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)c1
InChIInChI=1S/C22H18N4O2/c1-28-19-8-4-5-15(11-19)14-23-26-22(27)21-13-20(24-25-21)18-10-9-16-6-2-3-7-17(16)12-18/h2-14H,1H3,(H,24,25)(H,26,27)/b23-14+
InChIKeyMPQBYPHKDGMLHF-OEAKJJBVSA-N
MW370.41 g/mol
LogP4.00
Rot. Bonds5

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

N-[(E)-(3-methoxyphenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 5342734) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[(E)-(3-methoxyphenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-methoxyphenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
PubChem CID5342734
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC NameN-[(E)-(3-methoxyphenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)c1
InChIInChI=1S/C22H18N4O2/c1-28-19-8-4-5-15(11-19)14-23-26-22(27)21-13-20(24-25-21)18-10-9-16-6-2-3-7-17(16)12-18/h2-14H,1H3,(H,24,25)(H,26,27)/b23-14+
InChIKeyMPQBYPHKDGMLHF-OEAKJJBVSA-N
XLogP4.00
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.00
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)-(3-methoxyphenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(E)-(3-methoxyphenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide (CID 5342734) is N-[(E)-(3-methoxyphenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(E)-(3-methoxyphenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(E)-(3-methoxyphenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide is COc1cccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)c1.
What is the InChIKey of N-[(E)-(3-methoxyphenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide?
The InChIKey is MPQBYPHKDGMLHF-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-28-19-8-4-5-15(11-19)14-23-26-22(27)21-13-20(24-25-21)18-10-9-16-6-2-3-7-17(16)12-18/h2-14H,1H3,(H,24,25)(H,26,27)/b23-14+.
What are the key properties of N-[(E)-(3-methoxyphenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide?
N-[(E)-(3-methoxyphenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-methoxyphenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 5342734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).