Basic information
- Standard SMILES
CC(C)(C)n1ncc(CO)c1-n1cccc1- InChIKey
BAJNTXLRYPVSDU-UHFFFAOYSA-N- Molecular formula
- C12H17N3O
- Average molar mass
- 219.28 g/mol
- Monoisotopic mass
- 219.13716217
Names & identifiers
- Preferred name
- [5-(1H-pyrrol-1-yl)-1-t-butyl-1H-pyrazol-4-yl]methanol
- IUPAC
- (1-tert-butyl-5-pyrrol-1-ylpyrazol-4-yl)methanol
Names & synonyms
SCHEMBL3771478BAJNTXLRYPVSDU-UHFFFAOYSA-N[5-(1H-pyrrol-1-yl)-1-t-butyl-1H-pyrazol-4-yl]methanol
Database identifiers
- PubChem CID
- 57736270
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 43 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 233
Related reactions
4 records
Compound notes
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