N-[3-(diethylamino)propyl]-4-(4-methoxyphenyl)-5-phenyl-1H-pyrazole-1-acetamide

HCID 14699593

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCN(CC)CCCNC(=O)Cn1ncc(-c2ccc(OC)cc2)c1-c1ccccc1
InChIKey: NAGVIZJJOVTGRE-UHFFFAOYSA-N
Molecular formula: C25H32N4O2
Average molar mass: 420.5 g/mol
Monoisotopic mass: 420.25252628

Names & identifiers

Preferred name: N-[3-(diethylamino)propyl]-4-(4-methoxyphenyl)-5-phenyl-1H-pyrazole-1-acetamide
IUPAC: N-[3-(diethylamino)propyl]-2-[4-(4-methoxyphenyl)-5-phenylpyrazol-1-yl]acetamide

Names & synonyms

SCHEMBL9877992NAGVIZJJOVTGRE-UHFFFAOYSA-NN-[3-(diethylamino)propyl]-4-(4-methoxyphenyl)-5-phenyl-1H-pyrazole-1-acetamide

Database identifiers

PubChem CID: 14699593

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 59.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 11
Heavy atoms: 31
Formal charge: 0
Complexity: 514

Related reactions

9 records

New reaction record

HRID 281603As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 671411As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 704831As productuspto-grants-1991_01

HRID 704832As reactantuspto-grants-1991_01

HRID 1148756As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1608297As productuspto-grants-1989_09

HRID 1608298As reactantuspto-grants-1989_09

HRID 2073285As productuspto-grants-1990_04

Compound notes

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