CAS
937648-03-8 Purity
96%
937648-03-8 Purity
96%
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Ethyl 5-amino-4-cyano-1-phenyl-1H-pyrazole-3-carboxylate
CAS
93764-93-3
Catalog Number
ACM93764933
Category
Other Products
Molecular Weight
256.26
Molecular Formula
C13H12N4O2
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- Product Description
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- Synthetic Use
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What is the molecular formula of ethyl 5-amino-4-cyano-1-phenyl-1H-pyrazole-3-carboxylate?
The molecular formula is C13H12N4O2.
What is the molecular weight of ethyl 5-amino-4-cyano-1-phenyl-1H-pyrazole-3-carboxylate?
The molecular weight is 256.26 g/mol.
What is the IUPAC name of ethyl 5-amino-4-cyano-1-phenylpyrazole-3-carboxylate?
The IUPAC name is ethyl 5-amino-4-cyano-1-phenylpyrazole-3-carboxylate.
What is the InChI of ethyl 5-amino-4-cyano-1-phenyl-1H-pyrazole-3-carboxylate?
The InChI is InChI=1S/C13H12N4O2/c1-2-19-13(18)11-10(8-14)12(15)17(16-11)9-6-4-3-5-7-9/h3-7H,2,15H2,1H3.
What is the InChIKey of ethyl 5-amino-4-cyano-1-phenyl-1H-pyrazole-3-carboxylate?
The InChIKey is IEBFWSOLRJKQQN-UHFFFAOYSA-N.
What is the canonical SMILES of ethyl 5-amino-4-cyano-1-phenyl-1H-pyrazole-3-carboxylate?
The canonical SMILES is CCOC(=O)C1=NN(C(=C1C#N)N)C2=CC=CC=C2.
What is the XLogP3-AA value of ethyl 5-amino-4-cyano-1-phenyl-1H-pyrazole-3-carboxylate?
The XLogP3-AA value is 2.4.
How many hydrogen bond acceptor counts does ethyl 5-amino-4-cyano-1-phenyl-1H-pyrazole-3-carboxylate have?
It has 5 hydrogen bond acceptor counts.
What is the topological polar surface area of ethyl 5-amino-4-cyano-1-phenyl-1H-pyrazole-3-carboxylate?
The topological polar surface area is 93.9 Å^2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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