5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-(1,2,4-triazol-1-yl)-pyrazole

HCID 13630541
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Basic information

Standard SMILES
Nc1c(-n2cncn2)cnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIKey
PEQRLYUHWSWGFR-UHFFFAOYSA-N
Molecular formula
C12H7Cl2F3N6
Average molar mass
363.12 g/mol

Names & identifiers

Preferred name
5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-(1,2,4-triazol-1-yl)-pyrazole
IUPAC
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(1,2,4-triazol-1-yl)pyrazol-5-amine

Names & synonyms

5-amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-(1,2,4-triazol-1-yl)-pyrazoleSCHEMBL10656256

Database identifiers

PubChem CID
13630541

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
74.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
2
Heavy atoms
23

Related reactions

2 records
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Compound notes

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