5-methyl-1-(2-methylpropyl)-1H-pyrazole
Basic information
- CAS
405548-41-6- Standard SMILES
Cc1ccnn1CC(C)C- InChIKey
PXTRUYSGAWGMAK-UHFFFAOYSA-N- Molecular formula
- C8H14N2
- Average molar mass
- 138.21 g/mol
- Monoisotopic mass
- 138.11569846
Names & identifiers
- Preferred name
- 5-methyl-1-(2-methylpropyl)-1H-pyrazole
- IUPAC
- 5-methyl-1-(2-methylpropyl)pyrazole
- English name
- 1-isobutyl-5-methyl-1H-pyrazole
- Molecular formula
- C8H14N2
- Molecular weight
- 138.21016
Names & synonyms
405548-41-61-isobutyl-5-methyl-1H-pyrazole5-methyl-1-(2-methylpropyl)-1H-pyrazole5-methyl-1-(2-methylpropyl)pyrazoleMFCD087011221-isobutyl-5-methyl-pyrazoleSCHEMBL1303783SCHEMBL6154816SCHEMBL16911271SCHEMBL27726904DTXSID601279507SBB025148
Show more names
1-isobutyl-5-methylpyrazole1H-Pyrazole, 5-methyl-1-(2-methylpropyl)-
AKOS003673809CS-0274279ST45133889EN300-231557
Database identifiers
- CAS
405548-41-6- PubChem CID
- 23006151
- DTXSID
DTXSID601279507
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 101
Physicochemical properties
- Boiling point
- 196.5 · 196.5±9.0 °C(Predicted)
- Density
- 0.94 · 0.94±0.1 g/cm3(Predicted)
- pka
- 2.81 · 2.81±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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