(4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) adamantane-1-carboxylate

CAS: 87792-13-0

Molecular Formula	`C30H34N2O3`
Molecular Weight	470.6 g/mol
LogP	7.6
Topological Polar Surface Area	49.9 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	8
Exact Mass	470.25696
Heavy Atoms	35
Complexity	810.0

Chemical Identifiers

CAS Number	87792-13-0
SMILES	`CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C45CC6CC(C4)CC(C6)C5`
InChIKey	`FOBIEMIYPMYDIM-UHFFFAOYSA-N`

📖 Product Overview

(4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) adamantane-1-carboxylate (CAS: 87792-13-0) is a chemical compound with molecular formula C30H34N2O3 and molecular weight 470.6 g/mol. Its IUPAC systematic name is (4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) adamantane-1-carboxylate. LogP 7.6 Topological Polar Surface Area 49.9 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 8 Exact Mass 470.25696 Heavy Atoms 35 Complexity 810.0 InChI Key: FOBIEMIYPMYDIM-UHFFFAOYSA-N. SMILES: CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C45CC6CC(C4)CC(C6)C5.

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