N-[(4-bromo-1-methylpyrazol-3-yl)methylideneamino]-2-methoxy-2-naphthalen-2-ylacetamide

C18H17BrN4O2 — CID 75060573

IUPACN-[(4-bromo-1-methylpyrazol-3-yl)methylideneamino]-2-methoxy-2-naphthalen-2-ylacetamide
SMILESCOC(C(=O)NN=Cc1nn(C)cc1Br)c1ccc2ccccc2c1
InChIInChI=1S/C18H17BrN4O2/c1-23-11-15(19)16(22-23)10-20-21-18(24)17(25-2)14-8-7-12-5-3-4-6-13(12)9-14/h3-11,17H,1-2H3,(H,21,24)
InChIKeyWHAAWTRPBFYKTC-UHFFFAOYSA-N
MW401.26 g/mol
LogP3.17
Rot. Bonds5

About N-[(4-bromo-1-methylpyrazol-3-yl)methylideneamino]-2-methoxy-2-naphthalen-2-ylacetamide

N-[(4-bromo-1-methylpyrazol-3-yl)methylideneamino]-2-methoxy-2-naphthalen-2-ylacetamide (PubChem CID 75060573) has the molecular formula C18H17BrN4O2 and a molecular weight of 401.26 g/mol. Its IUPAC name is N-[(4-bromo-1-methylpyrazol-3-yl)methylideneamino]-2-methoxy-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-[(4-bromo-1-methylpyrazol-3-yl)methylideneamino]-2-methoxy-2-naphthalen-2-ylacetamide
PubChem CID75060573
Molecular FormulaC18H17BrN4O2
Molecular Weight401.26 g/mol
Exact Mass400.05
IUPAC NameN-[(4-bromo-1-methylpyrazol-3-yl)methylideneamino]-2-methoxy-2-naphthalen-2-ylacetamide
SMILESCOC(C(=O)NN=Cc1nn(C)cc1Br)c1ccc2ccccc2c1
InChIInChI=1S/C18H17BrN4O2/c1-23-11-15(19)16(22-23)10-20-21-18(24)17(25-2)14-8-7-12-5-3-4-6-13(12)9-14/h3-11,17H,1-2H3,(H,21,24)
InChIKeyWHAAWTRPBFYKTC-UHFFFAOYSA-N
XLogP3.17
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 53.17
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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Related Compounds

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-naphthalen-2-ylacetamide
CID 59185962
N-[(4-bromo-1-methylpyrazol-3-yl)methylideneamino]aniline
CID 2726903
N-[(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 2880053
2-methoxy-2-phenyl-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 2851057
(2R)-2-methoxy-2-phenyl-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 5414338
2-methoxy-2-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 17389304
(2S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 136757922
4-bromo-1-methyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]pyrazole-3-carboxamide
CID 5397821
(2S)-2-methoxy-N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenylacetamide
CID 5410616
(2R)-N-[(Z)-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-methoxy-2-phenylacetamide
CID 94837990
(2S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 5414429
2-methoxy-N-[(E)-(2-methoxyphenyl)methylideneamino]-2-phenylacetamide
CID 5334215

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-methylpyrazol-3-yl)methylideneamino]-2-methoxy-2-naphthalen-2-ylacetamide?
The IUPAC name of N-[(4-bromo-1-methylpyrazol-3-yl)methylideneamino]-2-methoxy-2-naphthalen-2-ylacetamide (CID 75060573) is N-[(4-bromo-1-methylpyrazol-3-yl)methylideneamino]-2-methoxy-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-[(4-bromo-1-methylpyrazol-3-yl)methylideneamino]-2-methoxy-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-[(4-bromo-1-methylpyrazol-3-yl)methylideneamino]-2-methoxy-2-naphthalen-2-ylacetamide is COC(C(=O)NN=Cc1nn(C)cc1Br)c1ccc2ccccc2c1.
What is the InChIKey of N-[(4-bromo-1-methylpyrazol-3-yl)methylideneamino]-2-methoxy-2-naphthalen-2-ylacetamide?
The InChIKey is WHAAWTRPBFYKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O2/c1-23-11-15(19)16(22-23)10-20-21-18(24)17(25-2)14-8-7-12-5-3-4-6-13(12)9-14/h3-11,17H,1-2H3,(H,21,24).
What are the key properties of N-[(4-bromo-1-methylpyrazol-3-yl)methylideneamino]-2-methoxy-2-naphthalen-2-ylacetamide?
N-[(4-bromo-1-methylpyrazol-3-yl)methylideneamino]-2-methoxy-2-naphthalen-2-ylacetamide has a molecular weight of 401.26 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-methylpyrazol-3-yl)methylideneamino]-2-methoxy-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 75060573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).