1H-Pyrazole, 3-(4-chlorophenyl)-5-(2-(1-pyrrolidinyl)ethoxy)-, (Z)-2-butenedioate (1:1)
Basic information
- CAS
86871-55-8- Standard SMILES
Clc1ccc(-c2cc(OCCN3CCCC3)n[nH]2)cc1.O=C(O)/C=C/C(=O)O- InChIKey
XXGGNLQORPVFPB-WLHGVMLRSA-N- Molecular formula
- C19H22ClN3O5
- Average molar mass
- 407.8 g/mol
- Monoisotopic mass
- 407.1247985
Names & identifiers
- Preferred name
- 1H-Pyrazole, 3-(4-chlorophenyl)-5-(2-(1-pyrrolidinyl)ethoxy)-, (Z)-2-butenedioate (1:1)
- IUPAC
- (E)-but-2-enedioic acid;5-(4-chlorophenyl)-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole
Names & synonyms
1H-Pyrazole, 3-(4-chlorophenyl)-5-(2-(1-pyrrolidinyl)ethoxy)-, (Z)-2-butenedioate (1:1)86871-55-8RefChem:10584743-(4-Chlorophenyl)-5-(2-(1-pyrrolidinyl)ethoxy)-1H-pyrazole (Z)-2-butenedioate (1:1)3-(p-Chlorophenyl)-5-pyrrolidinoethoxy-pyrazole maleate
Database identifiers
- CAS
86871-55-8- PubChem CID
- 6448409
Properties
Computed structural properties
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 410
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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