Basic information
- CAS
15803-52-8- Standard SMILES
CC(C)c1cc(C(C)(C)C)n[nH]1- InChIKey
AXPAKQVJNAIFFT-UHFFFAOYSA-N- Molecular formula
- C10H18N2
- Average molar mass
- 166.26 g/mol
- Monoisotopic mass
- 166.14699858
Names & identifiers
- Preferred name
- 1H-Pyrazole, 5-(1,1-dimethylethyl)-3-(1-methylethyl)-
- IUPAC
- 3-tert-butyl-5-propan-2-yl-1H-pyrazole
Names & synonyms
DTXSID2041359715803-52-81H-Pyrazole, 5-(1,1-dimethylethyl)-3-(1-methylethyl)-RefChem:239827DTXCID10364448194366-44-43-(tert-Butyl)-5-isopropyl-1H-pyrazole3-tert-butyl-5-propan-2-yl-1H-pyrazole3-tert-butyl-5-(propan-2-yl)-1H-pyrazole3-t-butyl-5-isopropylpyrazoleSCHEMBL1204717SCHEMBL12354207
Show more names
1H-Pyrazole,3-(1,1-dimethylethyl)-5-(1-methylethyl)-(9CI)DB-2794571H-Pyrazole, 3-(1,1-dimethylethyl)-5-(1-methylethyl)-
Database identifiers
- CAS
15803-52-8- PubChem CID
- 5255232
- DTXSID
DTXSID20413597- Nikkaji
- J1.017.594A、J1.729.075D
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 146
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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