Basic information
- CAS
145162-51-2- Standard SMILES
COc1ccc(Cn2cccn2)cc1- InChIKey
DFJJBKFWYFQQIE-UHFFFAOYSA-N- Molecular formula
- C11H12N2O
- Average molar mass
- 188.23 g/mol
- Monoisotopic mass
- 188.09496301
Names & identifiers
- Preferred name
- 1-(4-Methoxybenzyl)-1H-pyrazole
- IUPAC
- 1-[(4-methoxyphenyl)methyl]pyrazole
- English name
- CHEMPACIFIC 41266
- Molecular formula
- C11H12N2O
- Molecular weight
- 188.23
Names & synonyms
1-(4-Methoxybenzyl)-1H-pyrazole145162-51-21-[(4-methoxyphenyl)methyl]pyrazole1-[(4-Methoxyphenyl)methyl]-1H-pyrazole1H-Pyrazole, 1-[(4-methoxyphenyl)methyl]-SCHEMBL959163SCHEMBL1756751SCHEMBL3319825SCHEMBL15653598DTXSID70437162DFJJBKFWYFQQIE-UHFFFAOYSA-NMFCD09029580
Show more names
CHEMPACIFIC 412664-METHOXYBENZYL-PYRAZOLE1-(4-METHOXYBENZYL)PYRAZOLE1-(4-METHOXY-BENZYL)-1H-PYRAZOLE
AKOS013122606DB-372938
Database identifiers
- CAS
145162-51-2- PubChem CID
- 10241708
- DTXSID
DTXSID70437162- Nikkaji
- J638.199E
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 27.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Boiling point
- 332.226 · 332.226±25.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.083 · 1.083±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.573 · 2.573±0.10(predicted)
Chemistry & industry
Suppliers5 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
天津安浩生物科技有限公司02284840027 18602254930 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
3 records
Compound notes
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