N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-[4-(naphthalen-1-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide

C32H24N4O3 — CID 135651360

About N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-[4-(naphthalen-1-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide

N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-[4-(naphthalen-1-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 135651360) has the molecular formula C32H24N4O3 and a molecular weight of 512.57 g/mol. Its IUPAC name is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-[4-(naphthalen-1-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-[4-(naphthalen-1-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide
• PubChem CID: 135651360
• Molecular Formula: C32H24N4O3
• Molecular Weight: 512.57 g/mol
• Exact Mass: 512.18
• IUPAC Name: N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-[4-(naphthalen-1-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide
• SMILES: O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(-c2ccc(OCc3cccc4ccccc34)cc2)n[nH]1
• InChI: InChI=1S/C32H24N4O3/c37-31-17-14-22-7-2-4-11-27(22)28(31)19-33-36-32(38)30-18-29(34-35-30)23-12-15-25(16-13-23)39-20-24-9-5-8-21-6-1-3-10-26(21)24/h1-19,37H,20H2,(H,34,35)(H,36,38)/b33-19+
• InChIKey: IUSDAYSJLVVOAZ-HNSNBQBZSA-N
• XLogP: 6.43
• TPSA: 99.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.57
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-[4-(naphthalen-1-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide?

The IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-[4-(naphthalen-1-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide (CID 135651360) is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-[4-(naphthalen-1-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide.

What is the SMILES notation for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-[4-(naphthalen-1-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide?

The canonical SMILES for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-[4-(naphthalen-1-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide is O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(-c2ccc(OCc3cccc4ccccc34)cc2)n[nH]1.

What is the InChIKey of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-[4-(naphthalen-1-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide?

The InChIKey is IUSDAYSJLVVOAZ-HNSNBQBZSA-N. The full InChI is InChI=1S/C32H24N4O3/c37-31-17-14-22-7-2-4-11-27(22)28(31)19-33-36-32(38)30-18-29(34-35-30)23-12-15-25(16-13-23)39-20-24-9-5-8-21-6-1-3-10-26(21)24/h1-19,37H,20H2,(H,34,35)(H,36,38)/b33-19+.

What are the key properties of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-[4-(naphthalen-1-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide?

N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-[4-(naphthalen-1-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 512.57 g/mol, XLogP of 6.43, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-[4-(naphthalen-1-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 135651360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).