3-butyl-5,5-dimethyl-4-phenyl-N-(2-phenylpropan-2-yl)-4,5-dihydro-1H-pyrazole-1-carboxamide

HCID 49865656
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Basic information

Standard SMILES
CCCCC1=NN(C(=O)NC(C)(C)c2ccccc2)C(C)(C)C1c1ccccc1
InChIKey
YXUKUJWZXCOFBK-UHFFFAOYSA-N
Molecular formula
C25H33N3O
Average molar mass
391.5 g/mol
Monoisotopic mass
391.26236269

Names & identifiers

Preferred name
3-butyl-5,5-dimethyl-4-phenyl-N-(2-phenylpropan-2-yl)-4,5-dihydro-1H-pyrazole-1-carboxamide
IUPAC
3-butyl-5,5-dimethyl-4-phenyl-N-(2-phenylpropan-2-yl)-4H-pyrazole-1-carboxamide

Names & synonyms

CHEMBL1223716SCHEMBL3637952YXUKUJWZXCOFBK-UHFFFAOYSA-NBDBM503255863-butyl-5,5-dimethyl-4-phenyl-N-(2-phenylpropan-2-yl)-4,5-dihydro-1H-pyrazole-1-carboxamideN-(1-methyl-1-phenyl-ethyl)-3-(n-butyl)-5,5-dimethyl-4-phenyl-4,5-dihydro-(1H)-pyrazole-1-carbox-amide

Database identifiers

PubChem CID
49865656
ChEMBL
CHEMBL1223716

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
44.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
29

Related reactions

2 records
New reaction record

Linked notes

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3-butyl-5,5-dimethyl-4-phenyl-N-(2-phenylpropan-2-yl)-4,5-dihydro-1H-pyrazole-1-carboxamide (HCID 49865656)｜Huagongshe