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

C21H15ClN4O — CID 5342753

IUPACN-[(E)-(4-chlorophenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
SMILESO=C(N/N=C/c1ccc(Cl)cc1)c1cc(-c2ccc3ccccc3c2)n[nH]1
InChIInChI=1S/C21H15ClN4O/c22-18-9-5-14(6-10-18)13-23-26-21(27)20-12-19(24-25-20)17-8-7-15-3-1-2-4-16(15)11-17/h1-13H,(H,24,25)(H,26,27)/b23-13+
InChIKeyYGQACZRQTHXWFC-YDZHTSKRSA-N
MW374.83 g/mol
LogP4.65
Rot. Bonds4

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

N-[(E)-(4-chlorophenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 5342753) has the molecular formula C21H15ClN4O and a molecular weight of 374.83 g/mol. Its IUPAC name is N-[(E)-(4-chlorophenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-chlorophenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
PubChem CID5342753
Molecular FormulaC21H15ClN4O
Molecular Weight374.83 g/mol
Exact Mass374.09
IUPAC NameN-[(E)-(4-chlorophenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
SMILESO=C(N/N=C/c1ccc(Cl)cc1)c1cc(-c2ccc3ccccc3c2)n[nH]1
InChIInChI=1S/C21H15ClN4O/c22-18-9-5-14(6-10-18)13-23-26-21(27)20-12-19(24-25-20)17-8-7-15-3-1-2-4-16(15)11-17/h1-13H,(H,24,25)(H,26,27)/b23-13+
InChIKeyYGQACZRQTHXWFC-YDZHTSKRSA-N
XLogP4.65
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 54.65
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide (CID 5342753) is N-[(E)-(4-chlorophenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(E)-(4-chlorophenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(E)-(4-chlorophenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide is O=C(N/N=C/c1ccc(Cl)cc1)c1cc(-c2ccc3ccccc3c2)n[nH]1.
What is the InChIKey of N-[(E)-(4-chlorophenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide?
The InChIKey is YGQACZRQTHXWFC-YDZHTSKRSA-N. The full InChI is InChI=1S/C21H15ClN4O/c22-18-9-5-14(6-10-18)13-23-26-21(27)20-12-19(24-25-20)17-8-7-15-3-1-2-4-16(15)11-17/h1-13H,(H,24,25)(H,26,27)/b23-13+.
What are the key properties of N-[(E)-(4-chlorophenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide?
N-[(E)-(4-chlorophenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 374.83 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-chlorophenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 5342753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).