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Home > Encyclopedia > 1-BENZYL-3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID

1-BENZYL-3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID

1-BENZYL-3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID structure

1-BENZYL-3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID 

structure
  • CAS No:

    108444-25-3

  • Formula:

    C13H14N2O2

  • Chemical Name:

    1-BENZYL-3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID

  • Synonyms:

    1-BENZYL-3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID;1-(benzyl)-3,5-dimethyl-pyrazole-4-carboxylic acid;3,5-dimethyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid;3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylic acid

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

1-BENZYL-3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID Basic Attributes

230.26

230.10600

DTXSID20385109

2933199090

Characteristics

55.1

2.24640

422.7ºC at 760 mmHg

209.5ºC

23 [ug/mL]

6.69E-08mmHg at 25°C

Safety Information

IRRITANT

22-36

26

Xi,Xn

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:230.26
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:230.105527694
Monoisotopic Mass:230.105527694
Topological Polar Surface Area:55.1
Heavy Atom Count:17
Complexity:277
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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