CAS
98474-59-0 Purity
96%
98474-59-0 Purity
96%
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5-Cyano-1-(4-pyridinyl)-1H-pyrazole-4-carboxylic acid ethyl ester
CAS
98476-15-4
Catalog Number
ACM98476154
Category
Other Products
Molecular Weight
242.233400 [g/mol]
Molecular Formula
C12H10N4O2
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Specification
Synonyms
5-Cyano-1-(4-pyridinyl)-1H-pyrazole-4-carboxylic acid ethyl ester;Ethyl 5-cyano-1-(pyridin-4-yl)-1H-pyrazole-4-carboxylate
IUPAC Name
ethyl 5-cyano-1-pyridin-4-ylpyrazole-4-carboxylate
Canonical SMILES
CCOC(=O)C1=C(N(N=C1)C2=CC=NC=C2)C#N
InChI Key
ITOJQBVQHMPFHX-UHFFFAOYSA-N
Exact Mass
242.08000
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of 5-Cyano-1-(4-pyridinyl)-1H-pyrazole-4-carboxylic acid ethyl ester?
The molecular formula of 5-Cyano-1-(4-pyridinyl)-1H-pyrazole-4-carboxylic acid ethyl ester is C12H10N4O2.
What is the molecular weight of 5-Cyano-1-(4-pyridinyl)-1H-pyrazole-4-carboxylic acid ethyl ester?
The molecular weight of 5-Cyano-1-(4-pyridinyl)-1H-pyrazole-4-carboxylic acid ethyl ester is 242.23 g/mol.
What is the IUPAC Name of 5-Cyano-1-(4-pyridinyl)-1H-pyrazole-4-carboxylic acid ethyl ester?
The IUPAC Name of 5-Cyano-1-(4-pyridinyl)-1H-pyrazole-4-carboxylic acid ethyl ester is ethyl 5-cyano-1-pyridin-4-ylpyrazole-4-carboxylate.
What is the Canonical SMILES of 5-Cyano-1-(4-pyridinyl)-1H-pyrazole-4-carboxylic acid ethyl ester?
The Canonical SMILES of 5-Cyano-1-(4-pyridinyl)-1H-pyrazole-4-carboxylic acid ethyl ester is CCOC(=O)C1=C(N(N=C1)C2=CC=NC=C2)C#N.
What is the InChIKey of 5-Cyano-1-(4-pyridinyl)-1H-pyrazole-4-carboxylic acid ethyl ester?
The InChIKey of 5-Cyano-1-(4-pyridinyl)-1H-pyrazole-4-carboxylic acid ethyl ester is ITOJQBVQHMPFHX-UHFFFAOYSA-N.
What is the CAS number of 5-Cyano-1-(4-pyridinyl)-1H-pyrazole-4-carboxylic acid ethyl ester?
The CAS number of 5-Cyano-1-(4-pyridinyl)-1H-pyrazole-4-carboxylic acid ethyl ester is 98476-15-4.
How many hydrogen bond acceptor counts does 5-Cyano-1-(4-pyridinyl)-1H-pyrazole-4-carboxylic acid ethyl ester have?
5-Cyano-1-(4-pyridinyl)-1H-pyrazole-4-carboxylic acid ethyl ester has 5 hydrogen bond acceptor counts.
What is the topological polar surface area of 5-Cyano-1-(4-pyridinyl)-1H-pyrazole-4-carboxylic acid ethyl ester?
The topological polar surface area of 5-Cyano-1-(4-pyridinyl)-1H-pyrazole-4-carboxylic acid ethyl ester is 80.8Ų.
How many rotatable bond counts does 5-Cyano-1-(4-pyridinyl)-1H-pyrazole-4-carboxylic acid ethyl ester have?
5-Cyano-1-(4-pyridinyl)-1H-pyrazole-4-carboxylic acid ethyl ester has 4 rotatable bond counts.
Is 5-Cyano-1-(4-pyridinyl)-1H-pyrazole-4-carboxylic acid ethyl ester a canonicalized compound?
Yes, 5-Cyano-1-(4-pyridinyl)-1H-pyrazole-4-carboxylic acid ethyl ester is a canonicalized compound.
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