methyl 3,5-diamino-1H-pyrazole-4-carboxylate

Base Information

• Chemical Name: methyl 3,5-diamino-1H-pyrazole-4-carboxylate
• CAS No.: 1572-13-0
• Molecular Formula: C₅H₈N₄O₂
• Molecular Weight: 156.144
• NSC Number: 625015
• DSSTox Substance ID: DTXSID201197488
• Nikkaji Number: J379.490C
• ChEMBL ID: CHEMBL1966047
• Mol file: 1572-13-0.mol

Synonyms:methyl 3,5-diamino-1H-pyrazole-4-carboxylate;1572-13-0;NSC625015;1H-Pyrazole-4-carboxylic acid, 3,5-diamino-, methyl ester;SCHEMBL3699537;CHEMBL1966047;1H-Pyrazole-4-carboxylic acid, 3,5-diamino-, methyl ester;DTXSID201197488;3,5-diamino-4-carbomethoxypyrazole;BAA57213;Methyl 5-amino-3-imino-2,3-dihydro-1H-pyrazole-4-carboxylate;AKOS026742954;NSC-625015;NCI60_007654;methyl3,5-diamino-1H-pyrazole-4-carboxylate;EN300-154584;Z1255493359;5-Amino-3-amino-1H-pyrazole-4-carboxylic acid methyl ester;methyl 3-amino-5-imino-1,2-dihydropyrazole-4-carboxylate

Chemical Property of methyl 3,5-diamino-1H-pyrazole-4-carboxylate

Chemical Property:

• Melting Point: 231-232 °C
• Boiling Point: 424.8±40.0 °C(Predicted)
• PKA: 14.15±0.50(Predicted)
• PSA: 107.02000
• Density: 1.509±0.06 g/cm3(Predicted)
• LogP: 0.52310
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 156.06472551
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

98%min ^*data from raw suppliers

methyl3,5-diamino-1H-pyrazole-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(NN=C1N)N