3-Pyrazolecarboxylic acid, 4-amino-5-(m-methoxyphenyl)-
Basic information
- CAS
91948-26-4- Standard SMILES
COc1cccc(-c2n[nH]c(C(=O)O)c2N)c1- InChIKey
YBSZVTJAXJFQRN-UHFFFAOYSA-N- Molecular formula
- C11H11N3O3
- Average molar mass
- 233.22 g/mol
- Monoisotopic mass
- 233.08004122
Names & identifiers
- Preferred name
- 3-Pyrazolecarboxylic acid, 4-amino-5-(m-methoxyphenyl)-
- IUPAC
- 4-amino-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
Names & synonyms
3-Pyrazolecarboxylic acid, 4-amino-5-(m-methoxyphenyl)-4-Amino-5-(m-methoxyphenyl)-3-pyrazolecarboxylic acid91948-26-41H-Pyrazole-3-carboxylic acid, 4-amino-5-(3-methoxyphenyl)-DTXSID10238796RefChem:281967DTXCID601612874-amino-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
Database identifiers
- CAS
91948-26-4- PubChem CID
- 3045311
- DTXSID
DTXSID10238796
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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