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Basic information
- Standard SMILES
COc1ccccc1C(=O)Nc1ccc(Nc2n[nH]c(NCc3ccc(O)cc3)c2C(N)=O)cc1- InChIKey
ASKLSXBXTFLIJB-UHFFFAOYSA-N- Molecular formula
- C25H24N6O4
- Average molar mass
- 472.5 g/mol
- Monoisotopic mass
- 472.18590327
Names & identifiers
- Preferred name
- 5-((4-hydroxybenzyl)amino)-3-((4-(2-methoxybenzamido)phenyl)amino)-1H-pyrazole-4-carboxamide
- IUPAC
- 3-[(4-hydroxyphenyl)methylamino]-5-[4-[(2-methoxybenzoyl)amino]anilino]-1H-pyrazole-4-carboxamide
Names & synonyms
SCHEMBL15271526ASKLSXBXTFLIJB-UHFFFAOYSA-N5-((4-hydroxybenzyl)amino)-3-((4-(2-methoxybenzamido)phenyl)amino)-1H-pyrazole-4-carboxamide
Database identifiers
- PubChem CID
- 86701877
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 695
Related reactions
3 records
Compound notes
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