ethyl 1-(4-methoxyphenyl)-3-methylsulfonylpyrazole-5-carboxylate

C14H16N2O5S — CID 22318530

IUPACethyl 1-(4-methoxyphenyl)-3-methylsulfonylpyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(S(C)(=O)=O)nn1-c1ccc(OC)cc1
InChIInChI=1S/C14H16N2O5S/c1-4-21-14(17)12-9-13(22(3,18)19)15-16(12)10-5-7-11(20-2)8-6-10/h5-9H,4H2,1-3H3
InChIKeyACNPVVFOQCHLTF-UHFFFAOYSA-N
MW324.36 g/mol
LogP1.46
Rot. Bonds5

About ethyl 1-(4-methoxyphenyl)-3-methylsulfonylpyrazole-5-carboxylate

ethyl 1-(4-methoxyphenyl)-3-methylsulfonylpyrazole-5-carboxylate (PubChem CID 22318530) has the molecular formula C14H16N2O5S and a molecular weight of 324.36 g/mol. Its IUPAC name is ethyl 1-(4-methoxyphenyl)-3-methylsulfonylpyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-methoxyphenyl)-3-methylsulfonylpyrazole-5-carboxylate
PubChem CID22318530
Molecular FormulaC14H16N2O5S
Molecular Weight324.36 g/mol
Exact Mass324.08
IUPAC Nameethyl 1-(4-methoxyphenyl)-3-methylsulfonylpyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(S(C)(=O)=O)nn1-c1ccc(OC)cc1
InChIInChI=1S/C14H16N2O5S/c1-4-21-14(17)12-9-13(22(3,18)19)15-16(12)10-5-7-11(20-2)8-6-10/h5-9H,4H2,1-3H3
InChIKeyACNPVVFOQCHLTF-UHFFFAOYSA-N
XLogP1.46
TPSA87.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-amino-1-(4-methoxyphenyl)-3-methylpyrazole-4-carboxylate
CID 135372866
ethyl 5-[bis(methylsulfonyl)amino]-1-(4-methoxyphenyl)pyrazole-4-carboxylate
CID 10526009
ethyl 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylate
CID 43836208
O-ethyl 2-(4-methoxyphenyl)-5-methylpyrazole-3-carbothioate
CID 139909432
ethyl 3-amino-1-(4-chlorophenyl)pyrazole-5-carboxylate
CID 177207575
ethyl 5-amino-4-chloro-1-(4-methoxyphenyl)pyrazole-3-carboxylate
CID 112707174
ethyl 1-(4-methoxyphenyl)-5-[methyl(methylsulfonyl)amino]pyrazole-4-carboxylate
CID 10570059
ethyl 5-acetylimino-4-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxylate
CID 698440
3-amino-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid
CID 83864095
methyl 1-(4-methoxyphenyl)-3-methylsulfanylpyrazole-5-carboxylate
CID 18177273
ethyl 3-[3-(cyclohexylcarbamoyloxy)phenyl]-1-(4-methoxyphenyl)pyrazole-5-carboxylate
CID 118736193
1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxamide
CID 10523251

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-methoxyphenyl)-3-methylsulfonylpyrazole-5-carboxylate?
The IUPAC name of ethyl 1-(4-methoxyphenyl)-3-methylsulfonylpyrazole-5-carboxylate (CID 22318530) is ethyl 1-(4-methoxyphenyl)-3-methylsulfonylpyrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-(4-methoxyphenyl)-3-methylsulfonylpyrazole-5-carboxylate?
The canonical SMILES for ethyl 1-(4-methoxyphenyl)-3-methylsulfonylpyrazole-5-carboxylate is CCOC(=O)c1cc(S(C)(=O)=O)nn1-c1ccc(OC)cc1.
What is the InChIKey of ethyl 1-(4-methoxyphenyl)-3-methylsulfonylpyrazole-5-carboxylate?
The InChIKey is ACNPVVFOQCHLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5S/c1-4-21-14(17)12-9-13(22(3,18)19)15-16(12)10-5-7-11(20-2)8-6-10/h5-9H,4H2,1-3H3.
What are the key properties of ethyl 1-(4-methoxyphenyl)-3-methylsulfonylpyrazole-5-carboxylate?
ethyl 1-(4-methoxyphenyl)-3-methylsulfonylpyrazole-5-carboxylate has a molecular weight of 324.36 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-methoxyphenyl)-3-methylsulfonylpyrazole-5-carboxylate is sourced from PubChem (CID 22318530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).