CAS
93814-38-1 Purity
96%
93814-38-1 Purity
96%
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Ethyl 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate
CAS
938182-43-5
Catalog Number
ACM938182435
Category
Other Products
Molecular Weight
250.68
Molecular Formula
N1C(=CC(=N1)c1ccc(cc1)Cl)C(=O)OCC
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Specification
Synonyms
5-(Ethoxycarbonyl)-3-(4-chlorophenyl)-1H-pyrazole
IUPAC Name
ethyl 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate
Canonical SMILES
CCOC(=O)C1=CC(=NN1)C2=CC=C(C=C2)Cl
InChI Key
AAXKEDUSKXDFJA-UHFFFAOYSA-N
Exact Mass
250.05100
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of Ethyl 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate?
The molecular formula is C12H11ClN2O2.
What are some synonyms for Ethyl 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate?
Some synonyms include 595610-40-5, 3-(4-chlorophenyl)-1h-pyrazole-5-carboxylic acid ethyl ester, and 5-(4-chlorophenyl)-2H-pyrazole-3-carboxylic acid ethyl ester.
When was Ethyl 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate created in PubChem?
It was created on 2005-03-27.
What is the molecular weight of Ethyl 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate?
The molecular weight is 250.68 g/mol.
What is the IUPAC name of Ethyl 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate?
The IUPAC name is ethyl 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate.
What is the InChI of Ethyl 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate?
The InChI is InChI=1S/C12H11ClN2O2/c1-2-17-12(16)11-7-10(14-15-11)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3,(H,14,15).
What is the InChIKey of Ethyl 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate?
The InChIKey is AAXKEDUSKXDFJA-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in Ethyl 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate?
There is 1 hydrogen bond donor count.
What is the topological polar surface area of Ethyl 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate?
The topological polar surface area is 55 Å^2.
Is Ethyl 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate a canonicalized compound in PubChem?
Yes, it is a canonicalized compound.
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