5-Amino-4-(3-iodobenzoyl)-1-(4-fluorophenyl)pyrazole

HCID 9866075
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Basic information

Standard SMILES
Nc1c(C(=O)c2cccc(I)c2)cnn1-c1ccc(F)cc1
InChIKey
VDWAEHNJGWPANW-UHFFFAOYSA-N
Molecular formula
C16H11FIN3O
Average molar mass
407.18 g/mol

Names & identifiers

Preferred name
5-Amino-4-(3-iodobenzoyl)-1-(4-fluorophenyl)pyrazole
IUPAC
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(3-iodophenyl)methanone

Names & synonyms

SCHEMBL6159398VDWAEHNJGWPANW-UHFFFAOYSA-N5-amino-4-(3-iodobenzoyl)-1-(4-fluorophenyl)pyrazole

Database identifiers

PubChem CID
9866075

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
60.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
22

Related reactions

4 records
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Compound notes

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