1-(3,5-difluoro-benzyl)-1H-indazol-5-ylamine

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Basic information

Standard SMILES: Nc1ccc2c(cnn2Cc2cc(F)cc(F)c2)c1
InChIKey: ZEGHCBNPNZAANE-UHFFFAOYSA-N
Molecular formula: C14H11F2N3
Average molar mass: 259.25 g/mol
Monoisotopic mass: 259.09210369

Names & identifiers

Preferred name: 1-(3,5-difluoro-benzyl)-1H-indazol-5-ylamine
IUPAC: 1-[(3,5-difluorophenyl)methyl]indazol-5-amine

Names & synonyms

SCHEMBL3321902TQP1064ZEGHCBNPNZAANE-UHFFFAOYSA-N1-(3,5-difluorobenzyl)-1H-indazol-5-amine1-(3,5difluoro-benzyl)-1H-indazol-5-ylamine1-(3,5-difluoro-benzyl)-1H-indazol-5-ylamine

Database identifiers

PubChem CID: 21952145

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 43.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 305

Related reactions

3 records

New reaction record

HRID 309086As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1936801As reactantuspto-grants-2002_05

HRID 2306729As reactantuspto-grants-2004_12

Compound notes

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