1H-Pyrazole-4-acetic acid, 1-(4-methoxyphenyl)-alpha-methyl-5-(1H-pyrrol-1-yl)-, compd. with morpholine (1:1)
Basic information
- CAS
116834-30-1- Standard SMILES
C1COCCN1.COc1ccc(-n2ncc(C(C)C(=O)O)c2-n2cccc2)cc1- InChIKey
CXRNPAJRGXRXQH-UHFFFAOYSA-N- Molecular formula
- C21H26N4O4
- Average molar mass
- 398.5 g/mol
- Monoisotopic mass
- 398.19540532
Names & identifiers
- Preferred name
- 1H-Pyrazole-4-acetic acid, 1-(4-methoxyphenyl)-alpha-methyl-5-(1H-pyrrol-1-yl)-, compd. with morpholine (1:1)
- IUPAC
- 2-[1-(4-methoxyphenyl)-5-pyrrol-1-ylpyrazol-4-yl]propanoic acid;morpholine
Names & synonyms
116834-30-1RefChem:239955DTXSID009221722-[1-(4-Methoxyphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]propanoic acid--morpholine (1/1)
Database identifiers
- CAS
116834-30-1- PubChem CID
- 3087992
- DTXSID
DTXSID00922172
Properties
Computed structural properties
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 440
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Compound notes
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