Basic information
- CAS
1035092-07-9- Standard SMILES
Cc1cc(-c2ccc(C(C)C)cc2)n[nH]1- InChIKey
XPSNOXNONNFMKA-UHFFFAOYSA-N- Molecular formula
- C13H16N2
- Average molar mass
- 200.28 g/mol
- Monoisotopic mass
- 200.13134852
Names & identifiers
- Preferred name
- 5-Methyl-3-[4-(propan-2-yl)phenyl]-1H-pyrazole
- IUPAC
- 5-methyl-3-(4-propan-2-ylphenyl)-1H-pyrazole
- English name
- 5-Methyl-3-p-isopropylphenylpyrazole
- Molecular formula
- C13H16N2
- Molecular weight
- 200.28
Names & synonyms
1035092-07-95-Methyl-3-p-isopropylphenylpyrazole5-Methyl-3-[4-(propan-2-yl)phenyl]-1H-pyrazole3-(4-Isopropylphenyl)-5-methyl-1H-pyrazole5-methyl-3-(4-propan-2-ylphenyl)-1H-pyrazole132788-57-92-[[[2-(3,4-Dihydro-6,7-dimethoxy-4-methyl-3-oxo-2-quinoxalinyl)ethyl]amino]carbonyl]-hydrazinecarboxylic Acid Ethyl EsterSCHEMBL24120010DTXSID50571573DB-2636163-CuMenyl-5-Methylpyrazole5-Methyl-3-[4-(1-Methylethyl)phenyl]-1H-pyrazole
Show more names
1H-Pyrazole, 5-methyl-3-[4-(1-methylethyl)phenyl]-
Database identifiers
- CAS
1035092-07-9- PubChem CID
- 15328343
- DTXSID
DTXSID50571573- Nikkaji
- J2.145.613F
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Boiling point
- 350.8 · 350.8±21.0 °C(Predicted)
- Density
- 1.039 · 1.039±0.06 g/cm3(Predicted)
- pka
- 14.04 · 14.04±0.10(Predicted)
Chemistry & industry
Applications
Uses5-Methyl-3-p-isopropylphenylpyrazole is used in the syntheses of nickel(II), zinc(II) and palladium(II) complexes derived from three pyrazole-based polydentate ligands.
Suppliers5 total
凯试(上海)科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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