1-butyl-5-methyl-1H-pyrazole
Basic information
- CAS
1007518-48-0- Standard SMILES
CCCCn1nccc1C- InChIKey
QZKNMFYEYYTECQ-UHFFFAOYSA-N- Molecular formula
- C8H14N2
- Average molar mass
- 138.21 g/mol
Names & identifiers
- Preferred name
- 1-butyl-5-methyl-1H-pyrazole
- IUPAC
- 1-butyl-5-methylpyrazole
- English name
- 1-butyl-5-methyl-1H-pyrazole
- Molecular formula
- C8H14N2
- Molecular weight
- 138.21
Names & synonyms
1-butyl-5-methyl-1H-pyrazole1007518-48-01-butyl-5-methylpyrazoleMFCD087011211-butyl-5-methyl-pyrazoleSCHEMBL293388SCHEMBL293389SCHEMBL12818262SCHEMBL16861322SCHEMBL16911846SBB025004AKOS003673732
Show more names
1H-Pyrazole, 1-butyl-5-methyl-
CS-0297676ST45134607EN300-231483
Database identifiers
- CAS
1007518-48-0
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 93.3
Physicochemical properties
- Boiling point
- 203.3 · 203.3±9.0 °C(Predicted)
- Density
- 0.94 · 0.94±0.1 g/cm3(Predicted)
- pka
- 2.85 · 2.85±0.10(Predicted)
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Related reactions
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Compound notes
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