1H-Pyrazole-4-ethanamine, I(2),3,5-trimethyl-N-(1-methylethyl)-1-(2-pyrimidinyl)-
Basic information
- CAS
1525405-42-8- Standard SMILES
Cc1nn(-c2ncccn2)c(C)c1C(C)CNC(C)C- InChIKey
XCCYOCKEQFUAEC-UHFFFAOYSA-N- Molecular formula
- C15H23N5
- Average molar mass
- 273.38 g/mol
- Monoisotopic mass
- 273.19534575
Names & identifiers
- Preferred name
- 1H-Pyrazole-4-ethanamine, I(2),3,5-trimethyl-N-(1-methylethyl)-1-(2-pyrimidinyl)-
- IUPAC
- 2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine
Names & synonyms
DTXSID701138411AKOS0177776711H-Pyrazole-4-ethanamine, I(2),3,5-trimethyl-N-(1-methylethyl)-1-(2-pyrimidinyl)-2-[3,5-Dimethyl-1-(pyrimidin-2-yl)-1H-pyrazol-4-yl]-N-(propan-2-yl)propan-1-amine1525405-42-8
Database identifiers
- CAS
1525405-42-8- PubChem CID
- 79225697
- DTXSID
DTXSID701138411
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 290
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Compound notes
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