Methyl 3-methyl-1H-pyrazole-1-carboxylate
Basic information
- CAS
75326-01-1- Standard SMILES
COC(=O)n1ccc(C)n1- InChIKey
PDGLOGDQXWJWLH-UHFFFAOYSA-N- Molecular formula
- C6H8N2O2
- Average molar mass
- 140.14 g/mol
Names & identifiers
- Preferred name
- Methyl 3-methyl-1H-pyrazole-1-carboxylate
- IUPAC
- methyl 3-methylpyrazole-1-carboxylate
- English name
- 1H-Pyrazole-1-carboxylicacid,3-methyl-,methylester(9CI)
- Molecular formula
- C6H8N2O2
- Molecular weight
- 140.14
Names & synonyms
75326-01-1Methyl 3-methyl-1H-pyrazole-1-carboxylateSCHEMBL12128384AKOS004907951DB-3230151H-PYRAZOLE-1-CARBOXYLIC ACID, 3-METHYL-, METHYL ESTER1H-Pyrazole-1-carboxylicacid,3-methyl-,methylester(9CI)
Database identifiers
- CAS
75326-01-1
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 219.9 · 219.9±33.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- 0.54 · 0.54±0.10(Predicted)
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Compound notes
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