5-Methyl-1-propyl-1H-pyrazole-4-carboxylic acid

Base Information

• Chemical Name: 5-Methyl-1-propyl-1H-pyrazole-4-carboxylic acid
• CAS No.: 705270-06-0
• Molecular Formula: C8H12N2O2
• Molecular Weight: 168.19
• European Community (EC) Number: 827-363-5
• DSSTox Substance ID: DTXSID20349423
• Wikidata: Q82124620
• ChEMBL ID: CHEMBL1892793
• Mol file: 705270-06-0.mol

Synonyms:5-Methyl-1-propyl-1H-pyrazole-4-carboxylic acid;705270-06-0;5-methyl-1-propylpyrazole-4-carboxylic acid;5-methyl-1-propyl-1 h-pyrazole-4-carboxylic acid;MFCD03194465;5-METHYL-1-PROPYL-1H-PYRAZOLE-4-CARBOXYLICACID;SMR000012992;TimTec1_006075;MLS000032187;1H-Pyrazole-4-carboxylic acid, 5-methyl-1-propyl-;5-Methyl-1-propyl-1 H -pyrazole-4-carboxylic acid;CHEMBL1892793;DTXSID20349423;PIOSFPCYOZWBLH-UHFFFAOYSA-N;HMS1551E03;HMS2283J17;BBL012768;STK679592;AKOS000300851;FS-4486;CS-0119863;EU-0053538;FT-0677107;5-Methyl-1-propyl-pyrazole-4-carboxylic acid;EN300-92357;Z802541380;5-Methyl-1-propyl-1H-pyrazole-4-carboxylic acid, AldrichCPR

Chemical Property of 5-Methyl-1-propyl-1H-pyrazole-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.000171mmHg at 25°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 168.089877630
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

98%min ^*data from raw suppliers

5-Methyl-1-propyl-1H-pyrazole-4-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN1C(=C(C=N1)C(=O)O)C