N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C18H15F3N4O2 — CID 2404711

IUPACN-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOc1ccc2ccccc2c1C=NNC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C18H15F3N4O2/c1-27-15-7-6-12-4-2-3-5-13(12)14(15)10-22-23-17(26)11-25-9-8-16(24-25)18(19,20)21/h2-10H,11H2,1H3,(H,23,26)
InChIKeyZEFSKEJHJZQRAB-UHFFFAOYSA-N
MW376.34 g/mol
LogP3.21
Rot. Bonds5

About N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 2404711) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID2404711
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC NameN-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOc1ccc2ccccc2c1C=NNC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C18H15F3N4O2/c1-27-15-7-6-12-4-2-3-5-13(12)14(15)10-22-23-17(26)11-25-9-8-16(24-25)18(19,20)21/h2-10H,11H2,1H3,(H,23,26)
InChIKeyZEFSKEJHJZQRAB-UHFFFAOYSA-N
XLogP3.21
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 2404711) is N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is COc1ccc2ccccc2c1C=NNC(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is ZEFSKEJHJZQRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c1-27-15-7-6-12-4-2-3-5-13(12)14(15)10-22-23-17(26)11-25-9-8-16(24-25)18(19,20)21/h2-10H,11H2,1H3,(H,23,26).
What are the key properties of N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 376.34 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 2404711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).