1-(3,4,5-Trifluoro-benzyl)-1H-pyrazol-3-ylamine

HCID 67342971

Notes Reactions

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Basic information

Standard SMILES: Nc1ccn(Cc2cc(F)c(F)c(F)c2)n1
InChIKey: WKUWKZTYQWCIFA-UHFFFAOYSA-N
Molecular formula: C10H8F3N3
Average molar mass: 227.19 g/mol
Monoisotopic mass: 227.06703175

Names & identifiers

Preferred name: 1-(3,4,5-Trifluoro-benzyl)-1H-pyrazol-3-ylamine
IUPAC: 1-[(3,4,5-trifluorophenyl)methyl]pyrazol-3-amine

Names & synonyms

1225445-06-6SCHEMBL2272722WKUWKZTYQWCIFA-UHFFFAOYSA-NDB-1796311-(3,4,5-Trifluoro-benzyl)-1H-pyrazol-3-ylamine[1-(3,4,5-Trifluorobenzyl)-1h-pyrazol-3-yl]amine

Database identifiers

PubChem CID: 67342971

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 43.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 229

Related reactions

6 records

New reaction record

HRID 87993As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 117843As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 451393As reactantuspto-grants-2013_07

HRID 1551602As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2063666As productuspto-grants-2012_10

HRID 2063667As reactantuspto-grants-2012_10

Compound notes

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