2-Phenyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-amine
Basic information
- CAS
89399-92-8- Standard SMILES
Nc1c2c(nn1-c1ccccc1)CCC2- InChIKey
VUBNLJXWVXGFSH-UHFFFAOYSA-N- Molecular formula
- C12H13N3
- Average molar mass
- 199.25 g/mol
- Monoisotopic mass
- 199.11094743
Names & identifiers
- Preferred name
- 2-Phenyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-amine
- IUPAC
- 2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
- English name
- 2-PHENYL-2,4,5,6-TETRAHYDROCYCLOPENTA[C]PYRAZOL-3-AMINE
- Molecular formula
- C12H13N3
- Molecular weight
- 199.25
Names & synonyms
89399-92-82-phenyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-amine2-phenyl-4H,5H,6H-cyclopenta[c]pyrazol-3-amine2-phenyl-2H,4H,5H,6H-cyclopenta[c]pyrazol-3-amine2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amineMFCD07339545F2146-06382-phenyl-4,5,6-trihydrocyclopenta[2,1-c]pyrazole-3-ylamineMLS001176704CHEMBL1725019SCHEMBL11699718DTXSID10427860
Show more names
2,4,5,6-tetrahydro-2-phenyl-3-Cyclopentapyrazolamine3-CyclopentapyrazolaMine,2,4,5,6-tetrahydro-2-phenyl-
VUBNLJXWVXGFSH-UHFFFAOYSA-NHMS1741D19HMS2891A22SMSSF-0275372SBB085160AKOS005260024BS-14021SMR000595173
Database identifiers
- CAS
89399-92-8- PubChem CID
- 7130757
- DTXSID
DTXSID10427860- ChEMBL
CHEMBL1725019- EC Number
- 877-204-9
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 225
Experimental & physicochemical properties
Solubility>29.9 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 382.5 · 382.5±42.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.91 · 4.91±0.20(Predicted)
- Appearance
- White to yellow Solid
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Compound notes
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