1-tert-butyl-5-chloro-1H-pyrazole-4-carboxylic acid adamantan-2-ylamide

HCID 25014417
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Basic information

Standard SMILES
CC(C)(C)n1ncc(C(=O)NC2C3CC4CC(C3)CC2C4)c1Cl
InChIKey
SFVXTPNRDJITGI-UHFFFAOYSA-N
Molecular formula
C18H26ClN3O
Average molar mass
335.9 g/mol

Names & identifiers

Preferred name
1-tert-butyl-5-chloro-1H-pyrazole-4-carboxylic acid adamantan-2-ylamide
IUPAC
N-(2-adamantyl)-1-tert-butyl-5-chloropyrazole-4-carboxamide

Names & synonyms

SCHEMBL1406827SFVXTPNRDJITGI-UHFFFAOYSA-N1-tert-butyl-5-chloro-1H-pyrazole-4-carboxylic acid adamantan-2-ylamide

Database identifiers

PubChem CID
25014417

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
46.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
23

Related reactions

14 records
New reaction record

Linked notes

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