3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanoic acid

Base Information

• Chemical Name: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanoic acid
• CAS No.: 436086-92-9
• Molecular Formula: C9H14N2O2
• Molecular Weight: 182.22
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID30374428
• ChEMBL ID: CHEMBL1306778
• Mol file: 436086-92-9.mol

Synonyms:436086-92-9;3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanoic acid;3-(3,5-Dimethyl-pyrazol-1-yl)-2-methyl-propionic acid;3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid;MLS000715150;SMR000275129;BAS 03182915;1H-Pyrazole-1-propanoicacid, a,3,5-trimethyl-;CHEMBL1306778;BDBM84002;cid_2758649;DTXSID30374428;HMS2711C23;MFCD03444758;STK500603;AKOS000270478;AKOS016039969;RS-0400;BB 0219186;FT-0676679;3-(3,5-dimethyl-1-pyrazolyl)-2-methylpropanoic acid;3-(3,5-dimethylpyrazol-1-yl)-2-methyl-propanoic acid;3-(3,5-dimethylpyrazol-1-yl)-2-methyl-propionic acid;F1986-0001;Z274554320;3-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-methylpropanoic acid, AldrichCPR

Chemical Property of 3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanoic acid

Chemical Property:

• Vapor Pressure: 8.2E-05mmHg at 25°C
• Boiling Point: 327.4 °C at 760 mmHg
• Flash Point: 151.8 °C
• PSA: 55.12000
• Density: 1.16 g/cm³
• LogP: 1.22060
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 182.105527694
• Heavy Atom Count: 13
• Complexity: 196

Purity/Quality:

NLT 98% ^*data from raw suppliers

3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 25
• Safety Statements: 45

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=NN1CC(C)C(=O)O)C