ethyl 4-bromo-5-(3-chlorophenyl)-1-phenylpyrazole-3-carboxylate

C18H14BrClN2O2 — CID 67032370

IUPACethyl 4-bromo-5-(3-chlorophenyl)-1-phenylpyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccccc2)c(-c2cccc(Cl)c2)c1Br
InChIInChI=1S/C18H14BrClN2O2/c1-2-24-18(23)16-15(19)17(12-7-6-8-13(20)11-12)22(21-16)14-9-4-3-5-10-14/h3-11H,2H2,1H3
InChIKeyQWFZKXIVMJUZJU-UHFFFAOYSA-N
MW405.68 g/mol
LogP5.13
Rot. Bonds4

About ethyl 4-bromo-5-(3-chlorophenyl)-1-phenylpyrazole-3-carboxylate

ethyl 4-bromo-5-(3-chlorophenyl)-1-phenylpyrazole-3-carboxylate (PubChem CID 67032370) has the molecular formula C18H14BrClN2O2 and a molecular weight of 405.68 g/mol. Its IUPAC name is ethyl 4-bromo-5-(3-chlorophenyl)-1-phenylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-bromo-5-(3-chlorophenyl)-1-phenylpyrazole-3-carboxylate
PubChem CID67032370
Molecular FormulaC18H14BrClN2O2
Molecular Weight405.68 g/mol
Exact Mass403.99
IUPAC Nameethyl 4-bromo-5-(3-chlorophenyl)-1-phenylpyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccccc2)c(-c2cccc(Cl)c2)c1Br
InChIInChI=1S/C18H14BrClN2O2/c1-2-24-18(23)16-15(19)17(12-7-6-8-13(20)11-12)22(21-16)14-9-4-3-5-10-14/h3-11H,2H2,1H3
InChIKeyQWFZKXIVMJUZJU-UHFFFAOYSA-N
XLogP5.13
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.68
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-bromo-5-(3-chlorophenyl)-1-phenylpyrazole-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 1-(3-bromophenyl)-4-methyl-5-phenylpyrazole-3-carboxylate
CID 52951025
ethyl 4-bromo-1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazole-3-carboxylate
CID 58763925
ethyl 1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate
CID 54706485
ethyl 4-bromo-1-(3-chlorophenyl)pyrazole-3-carboxylate
CID 162639245
ethyl 1-(3-chlorophenyl)-6-oxo-4,5-dihydrocyclopenta[d]pyrazole-3-carboxylate
CID 178148487
ethyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylate
CID 54708408
ethyl 1-(3-chlorophenyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxylate
CID 66581010
4-bromo-1-(3-chlorophenyl)-5-methylpyrazole-3-carboxylic acid
CID 55037987
ethyl 5-acetyl-1,4-diphenylpyrazole-3-carboxylate
CID 100975890
4-(2-ethoxy-2-oxoethyl)-1,5-diphenylpyrazole-3-carboxylic acid
CID 59581391
ethyl 4-bromo-5-(3,4-difluorophenyl)-1-(2-fluorophenyl)pyrazole-3-carboxylate;ethyl 5-(3,4-difluorophenyl)-1-(2-fluorophenyl)pyrazole-3-carboxylate
CID 175816100
ethyl 5-(3,5-dichlorophenoxy)-4-(hydroxymethyl)-1-phenylpyrazole-3-carboxylate
CID 163525426

Frequently Asked Questions

What is the IUPAC name of ethyl 4-bromo-5-(3-chlorophenyl)-1-phenylpyrazole-3-carboxylate?
The IUPAC name of ethyl 4-bromo-5-(3-chlorophenyl)-1-phenylpyrazole-3-carboxylate (CID 67032370) is ethyl 4-bromo-5-(3-chlorophenyl)-1-phenylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 4-bromo-5-(3-chlorophenyl)-1-phenylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 4-bromo-5-(3-chlorophenyl)-1-phenylpyrazole-3-carboxylate is CCOC(=O)c1nn(-c2ccccc2)c(-c2cccc(Cl)c2)c1Br.
What is the InChIKey of ethyl 4-bromo-5-(3-chlorophenyl)-1-phenylpyrazole-3-carboxylate?
The InChIKey is QWFZKXIVMJUZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClN2O2/c1-2-24-18(23)16-15(19)17(12-7-6-8-13(20)11-12)22(21-16)14-9-4-3-5-10-14/h3-11H,2H2,1H3.
What are the key properties of ethyl 4-bromo-5-(3-chlorophenyl)-1-phenylpyrazole-3-carboxylate?
ethyl 4-bromo-5-(3-chlorophenyl)-1-phenylpyrazole-3-carboxylate has a molecular weight of 405.68 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-bromo-5-(3-chlorophenyl)-1-phenylpyrazole-3-carboxylate is sourced from PubChem (CID 67032370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).