- InChI
- InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)
- InChI Key
- XKVUYEYANWFIJX-UHFFFAOYSA-N
- Formula
- C4H6N2
- SMILES
- Cc1cc[nH]n1
- Molecular Weight1
- 82.10
- CAS
- 1453-58-3
- Other Names
-
- 3(5)-Methylpyrazole
- 3-Methyl-1H-pyrazole
- 3-methylpyrazole
- 5-Methylpyrazole
- Pyrazole, 3(or 5)-methyl-
- Pyrazole, 5-methyl-
- pyrazole, 3-methyl-
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 906.00 | kJ/mol | NIST |
| BasG | 874.20 | kJ/mol | NIST |
| ΔfusH° | 65.90 | kJ/mol | Thermoc... |
| ΔvapH° | 65.90 ± 2.00 | kJ/mol | NIST |
| log10WS | -0.93 | Crippen Calculated Property | |
| logPoct/wat | 0.236 | Crippen Calculated Property | |
| McVol | 67.720 | ml/mol | McGowan Calculated Property |
| Inp | [930.00; 930.00] |
|
|
| Inp | 930.00 | NIST | |
| Inp | 930.00 | NIST | |
| Inp | 930.00 | NIST | |
| Tboil | 477.20 | K | NIST |
Similar Compounds
Find more compounds similar to 1H-Pyrazole, 3-methyl-.
Sources
- Crippen Method
- Crippen Method
- Thermochemical studies of 3-methylpyrazole and 1,3,5-trimethylpyrazole
- McGowan Method
- NIST Webbook
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