1'-ethyl-1-(4-fluorophenyl)-3'-methyl-1H,1'H-[3,4'-bipyrazole]-4-carboxylic acid
Basic information
- CAS
956824-00-3- Standard SMILES
CCn1cc(-c2nn(-c3ccc(F)cc3)cc2C(=O)O)c(C)n1- InChIKey
JUYPSWYUJCLWSK-UHFFFAOYSA-N- Molecular formula
- C16H15FN4O2
- Average molar mass
- 314.31 g/mol
- Monoisotopic mass
- 314.1179039
Names & identifiers
- Preferred name
- 1'-ethyl-1-(4-fluorophenyl)-3'-methyl-1H,1'H-[3,4'-bipyrazole]-4-carboxylic acid
- IUPAC
- 3-(1-ethyl-3-methylpyrazol-4-yl)-1-(4-fluorophenyl)pyrazole-4-carboxylic acid
- English name
- 1'-Ethyl-1-(4-fluorophenyl)-3'-methyl-1H,1'H-3,4'-bipyrazole-4-carboxylic acid
- Molecular formula
- C16H15FN4O2
- Molecular weight
- 314.31
Names & synonyms
956824-00-31'-ethyl-1-(4-fluorophenyl)-3'-methyl-1H,1'H-[3,4'-bipyrazole]-4-carboxylic acid1'-ethyl-1-(4-fluorophenyl)-3'-methyl-1H,1'H-3,4'-bipyrazole-4-carboxylic acidMFCD085581993-(1-ethyl-3-methylpyrazol-4-yl)-1-(4-fluorophenyl)pyrazole-4-carboxylic acid3-(1-Ethyl-3-methyl-1h-pyrazol-4-yl)-1-(4-fluorophenyl)-1h-pyrazole-4-carboxylic acidDTXSID001141134GNB82400HTS17840SBB023678STK350739AKOS000313556
Show more names
[3,4'-Bi-1H-pyrazole]-4-carboxylic acid, 1'-ethyl-1-(4-fluorophenyl)-3'-methyl-
CCG-275761VS-10200CS-0240938EN300-2306421''-Ethyl-1-(4-fluorophenyl)-3''-methyl-1H,1''H-3,4''-bipyrazole-4-carboxylic Acid1'-ethyl-1-(4-fluorophenyl)-3'-methyl-1H,1'H-[3,4'-bipyrazole]-4-carboxylicacid1a(2)-Ethyl-1-(4-fluorophenyl)-3a(2)-methyl[3,4a(2)-bi-1H-pyrazole]-4-carboxylic acid3-(1-ethyl-3-methyl-pyrazol-4-yl)-1-(4-fluorophenyl)pyrazole-4-carboxylic acid
Database identifiers
- CAS
956824-00-3- PubChem CID
- 16394841
- DTXSID
DTXSID001141134
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 430
Physicochemical properties
- Boiling point
- 472 · 472.0±45.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 3.32 · 3.32±0.36(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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