[2-(4-chlorophenyl)-2-oxoethyl] 2-ethyl-5-methylpyrazole-3-carboxylate

C15H15ClN2O3 — CID 2810161

IUPAC[2-(4-chlorophenyl)-2-oxoethyl] 2-ethyl-5-methylpyrazole-3-carboxylate
SMILESCCn1nc(C)cc1C(=O)OCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O3/c1-3-18-13(8-10(2)17-18)15(20)21-9-14(19)11-4-6-12(16)7-5-11/h4-8H,3,9H2,1-2H3
InChIKeyVGKYYBXQYCAQPI-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.90
Rot. Bonds5

About [2-(4-chlorophenyl)-2-oxoethyl] 2-ethyl-5-methylpyrazole-3-carboxylate

[2-(4-chlorophenyl)-2-oxoethyl] 2-ethyl-5-methylpyrazole-3-carboxylate (PubChem CID 2810161) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-2-oxoethyl] 2-ethyl-5-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-2-oxoethyl] 2-ethyl-5-methylpyrazole-3-carboxylate
PubChem CID2810161
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name[2-(4-chlorophenyl)-2-oxoethyl] 2-ethyl-5-methylpyrazole-3-carboxylate
SMILESCCn1nc(C)cc1C(=O)OCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O3/c1-3-18-13(8-10(2)17-18)15(20)21-9-14(19)11-4-6-12(16)7-5-11/h4-8H,3,9H2,1-2H3
InChIKeyVGKYYBXQYCAQPI-UHFFFAOYSA-N
XLogP2.90
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(4-chlorophenyl)-2-oxoethyl] 2-ethyl-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

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 2-ethyl-5-methylpyrazole-3-carboxylate?
The IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 2-ethyl-5-methylpyrazole-3-carboxylate (CID 2810161) is [2-(4-chlorophenyl)-2-oxoethyl] 2-ethyl-5-methylpyrazole-3-carboxylate.
What is the SMILES notation for [2-(4-chlorophenyl)-2-oxoethyl] 2-ethyl-5-methylpyrazole-3-carboxylate?
The canonical SMILES for [2-(4-chlorophenyl)-2-oxoethyl] 2-ethyl-5-methylpyrazole-3-carboxylate is CCn1nc(C)cc1C(=O)OCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chlorophenyl)-2-oxoethyl] 2-ethyl-5-methylpyrazole-3-carboxylate?
The InChIKey is VGKYYBXQYCAQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-3-18-13(8-10(2)17-18)15(20)21-9-14(19)11-4-6-12(16)7-5-11/h4-8H,3,9H2,1-2H3.
What are the key properties of [2-(4-chlorophenyl)-2-oxoethyl] 2-ethyl-5-methylpyrazole-3-carboxylate?
[2-(4-chlorophenyl)-2-oxoethyl] 2-ethyl-5-methylpyrazole-3-carboxylate has a molecular weight of 306.75 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-2-oxoethyl] 2-ethyl-5-methylpyrazole-3-carboxylate is sourced from PubChem (CID 2810161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).