ethyl 4-acetyl-1-(4-ethoxyphenyl)-5-methylpyrazole-3-carboxylate

C17H20N2O4 — CID 1234267

IUPACethyl 4-acetyl-1-(4-ethoxyphenyl)-5-methylpyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(OCC)cc2)c(C)c1C(C)=O
InChIInChI=1S/C17H20N2O4/c1-5-22-14-9-7-13(8-10-14)19-11(3)15(12(4)20)16(18-19)17(21)23-6-2/h7-10H,5-6H2,1-4H3
InChIKeyIIBFVLDEUZXTHV-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.96
Rot. Bonds6

About ethyl 4-acetyl-1-(4-ethoxyphenyl)-5-methylpyrazole-3-carboxylate

ethyl 4-acetyl-1-(4-ethoxyphenyl)-5-methylpyrazole-3-carboxylate (PubChem CID 1234267) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is ethyl 4-acetyl-1-(4-ethoxyphenyl)-5-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-acetyl-1-(4-ethoxyphenyl)-5-methylpyrazole-3-carboxylate
PubChem CID1234267
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Nameethyl 4-acetyl-1-(4-ethoxyphenyl)-5-methylpyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(OCC)cc2)c(C)c1C(C)=O
InChIInChI=1S/C17H20N2O4/c1-5-22-14-9-7-13(8-10-14)19-11(3)15(12(4)20)16(18-19)17(21)23-6-2/h7-10H,5-6H2,1-4H3
InChIKeyIIBFVLDEUZXTHV-UHFFFAOYSA-N
XLogP2.96
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-acetyl-1-(4-ethoxyphenyl)-5-methylpyrazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-acetyl-1-(4-ethoxyphenyl)pyrazole-3-carboxylate
CID 28811414
1-(4-ethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 27655572
ethyl 5-methyl-1-(4-methylphenyl)-4-[(4-methylphenyl)carbamoyl]pyrazole-3-carboxylate
CID 134090109
ethyl 4-acetyl-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-3-carboxylate
CID 162535284
ethyl 5-butanoyl-1-(4-ethoxyphenyl)-4-oxo-6-propylpyridazine-3-carboxylate
CID 70474034
1-(4-ethoxyphenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 82420049
ethyl 5-acetyl-4-methyl-1-(4-methylphenyl)pyrazole-3-carboxylate
CID 851059
1-[3-acetyl-1-(4-chlorophenyl)-5-methylpyrazol-4-yl]ethanone
CID 16766692
ethyl 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylate
CID 43836208
ethyl 4-(4-ethoxyphenyl)sulfonyloxy-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylate
CID 43993012
ethyl 4-amino-5-[3-amino-4-ethoxycarbonyl-1-(4-ethoxyphenyl)-5-methylpyrrol-2-yl]-1-(4-ethoxyphenyl)-2-methylpyrrole-3-carboxylate
CID 11813846
ethyl 5-amino-4-chloro-1-(4-methoxyphenyl)pyrazole-3-carboxylate
CID 112707174

Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetyl-1-(4-ethoxyphenyl)-5-methylpyrazole-3-carboxylate?
The IUPAC name of ethyl 4-acetyl-1-(4-ethoxyphenyl)-5-methylpyrazole-3-carboxylate (CID 1234267) is ethyl 4-acetyl-1-(4-ethoxyphenyl)-5-methylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 4-acetyl-1-(4-ethoxyphenyl)-5-methylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 4-acetyl-1-(4-ethoxyphenyl)-5-methylpyrazole-3-carboxylate is CCOC(=O)c1nn(-c2ccc(OCC)cc2)c(C)c1C(C)=O.
What is the InChIKey of ethyl 4-acetyl-1-(4-ethoxyphenyl)-5-methylpyrazole-3-carboxylate?
The InChIKey is IIBFVLDEUZXTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-5-22-14-9-7-13(8-10-14)19-11(3)15(12(4)20)16(18-19)17(21)23-6-2/h7-10H,5-6H2,1-4H3.
What are the key properties of ethyl 4-acetyl-1-(4-ethoxyphenyl)-5-methylpyrazole-3-carboxylate?
ethyl 4-acetyl-1-(4-ethoxyphenyl)-5-methylpyrazole-3-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetyl-1-(4-ethoxyphenyl)-5-methylpyrazole-3-carboxylate is sourced from PubChem (CID 1234267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).