Basic information
- Standard SMILES
Cc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)c2cccc(I)c2)c1N- InChIKey
OKCYOLQZTMDRPD-UHFFFAOYSA-N- Molecular formula
- C21H19IN4O2
- Average molar mass
- 486.3 g/mol
- Monoisotopic mass
- 486.05527
Names & identifiers
- Preferred name
- 3-(5-amino-4-(3-iodobenzoyl)-1H-pyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide
- IUPAC
- 3-[5-amino-4-(3-iodobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
Names & synonyms
3-(5-amino-4-(3-iodobenzoyl)-1H-pyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide836682-66-73-[5-amino-4-(3-iodobenzoyl)-1H-pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamideSCHEMBL1384896OKCYOLQZTMDRPD-UHFFFAOYSA-N3-[5-amino-4-(3-iodo-benzoyl)-pyrazol -1-yl]-N-cyclopropyl-4-methylbenzamide3-[5-Amino-4-(3-iodo-benzoyl)-pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide3-[5-amino-4-(3-iodo-benzoyl)-pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide3-[5-amino-4-(3-iodobenzoyl)-pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
Database identifiers
- PubChem CID
- 11167659
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 90 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 599
Related reactions
15 records
Linked notes
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