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Cyclopentyl-[3,5-dimethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine

HCID 68178657
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Basic information

Standard SMILES
Cc1cc(C(N)C2CCCC2)cc(C)c1-n1cc(C(F)(F)F)cn1
InChIKey
MSFPZNIUPAWRIC-UHFFFAOYSA-N
Molecular formula
C18H22F3N3
Average molar mass
337.4 g/mol

Names & identifiers

Preferred name
Cyclopentyl-[3,5-dimethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
IUPAC
cyclopentyl-[3,5-dimethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine

Names & synonyms

SCHEMBL11962767MSFPZNIUPAWRIC-UHFFFAOYSA-Ncyclopentyl-[3,5-dimethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine

Database identifiers

PubChem CID
68178657

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
43.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
24
Formal charge
0
Complexity
410

Related reactions

1 records
New reaction record
HRID 96087 reaction equation
HRID 96087As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Compound notes

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