CAS
98473-398 Purity
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98473-398 Purity
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Ethyl 5-cyano-1-(pyridin-2-yl)-1H-pyrazole-4-carboxylate
CAS
98475-62-8
Catalog Number
ACM98475628
Category
Other Products
Molecular Weight
242.233400 [g/mol]
Molecular Formula
C12H10N4O2
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Specification
Synonyms
98475-62-8, ethyl 5-cyano-1-(pyridin-2-yl)-1H-pyrazole-4-carboxylate, 5-CYANO-1-(2-PYRIDINYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER, AGN-PC-00NCPU, AKOS015901058, ACN-000121, AK139412, A11272, I14-15685, ethyl5-cyano-1-(pyridin-2-yl)-1H-pyrazole-4-carboxylate, 1H-Pyrazole-4-carboxylic acid, 5-cyano-1-(2-pyridinyl)-, ethyl ester
IUPAC Name
ethyl 5-cyano-1-pyridin-2-ylpyrazole-4-carboxylate
Canonical SMILES
CCOC(=O)C1=C(N(N=C1)C2=CC=CC=N2)C#N
InChI Key
HVBSFBWQHVGWCC-UHFFFAOYSA-N
Exact Mass
242.08000
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of ethyl 5-cyano-1-(pyridin-2-yl)-1H-pyrazole-4-carboxylate?
The molecular formula is C12H10N4O2.
What is the molecular weight of ethyl 5-cyano-1-(pyridin-2-yl)-1H-pyrazole-4-carboxylate?
The molecular weight is 242.23 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is ethyl 5-cyano-1-pyridin-2-ylpyrazole-4-carboxylate.
What is the Canonical SMILES representation of the compound?
The Canonical SMILES is CCOC(=O)C1=C(N(N=C1)C2=CC=CC=N2)C#N.
What is the InChIKey of the compound?
The InChIKey is HVBSFBWQHVGWCC-UHFFFAOYSA-N.
What is the XLogP3-AA value for the compound?
The XLogP3-AA value is 1.4.
How many hydrogen bond acceptors does the compound have?
The compound has 5 hydrogen bond acceptors.
What is the exact and monoisotopic mass of the compound?
The exact and monoisotopic mass is 242.08037557 g/mol.
What is the topological polar surface area of the compound?
The topological polar surface area is 80.8 Å2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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