ethyl 5-bromo-2-(5-bromo-3-chloro-2-pyridinyl)-3,4-dihydropyrazole-3-carboxylate

C11H10Br2ClN3O2 — CID 59765837

IUPACethyl 5-bromo-2-(5-bromo-3-chloro-2-pyridinyl)-3,4-dihydropyrazole-3-carboxylate
SMILESCCOC(=O)C1CC(Br)=NN1c1ncc(Br)cc1Cl
InChIInChI=1S/C11H10Br2ClN3O2/c1-2-19-11(18)8-4-9(13)16-17(8)10-7(14)3-6(12)5-15-10/h3,5,8H,2,4H2,1H3
InChIKeyDURUQKLPFBJBPV-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.35
Rot. Bonds3

About ethyl 5-bromo-2-(5-bromo-3-chloro-2-pyridinyl)-3,4-dihydropyrazole-3-carboxylate

ethyl 5-bromo-2-(5-bromo-3-chloro-2-pyridinyl)-3,4-dihydropyrazole-3-carboxylate (PubChem CID 59765837) has the molecular formula C11H10Br2ClN3O2 and a molecular weight of 411.48 g/mol. Its IUPAC name is ethyl 5-bromo-2-(5-bromo-3-chloro-2-pyridinyl)-3,4-dihydropyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-bromo-2-(5-bromo-3-chloro-2-pyridinyl)-3,4-dihydropyrazole-3-carboxylate
PubChem CID59765837
Molecular FormulaC11H10Br2ClN3O2
Molecular Weight411.48 g/mol
Exact Mass408.88
IUPAC Nameethyl 5-bromo-2-(5-bromo-3-chloro-2-pyridinyl)-3,4-dihydropyrazole-3-carboxylate
SMILESCCOC(=O)C1CC(Br)=NN1c1ncc(Br)cc1Cl
InChIInChI=1S/C11H10Br2ClN3O2/c1-2-19-11(18)8-4-9(13)16-17(8)10-7(14)3-6(12)5-15-10/h3,5,8H,2,4H2,1H3
InChIKeyDURUQKLPFBJBPV-UHFFFAOYSA-N
XLogP3.35
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 5-bromo-2-(5-bromo-3-chloro-2-pyridinyl)-3,4-dihydropyrazole-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 5-bromo-2-(3,5-dichloro-2-pyridinyl)-3,4-dihydropyrazole-3-carboxylate;ethyl 2-(3,5-dichloro-2-pyridinyl)-5-oxopyrazolidine-3-carboxylate
CID 158083250
ethyl 1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidine-2-carboxylate
CID 103583949
ethyl 5-bromo-2-[2-chloro-4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-3-carboxylate
CID 171614606
ethyl 1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidine-2-carboxylate
CID 79718437
ethyl 2-(3-chloro-2-pyridinyl)-5-phenyl-3,4-dihydropyrazole-3-carboxylate
CID 177120449
ethyl (2S)-1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-2-carboxylate
CID 58324356
ethyl 2-(3-chloro-2-pyridinyl)-5-methylsulfonyloxy-3,4-dihydropyrazole-3-carboxylate
CID 166154467
ethyl 1-(4-bromo-2,6-dichlorophenyl)sulfonylpiperidine-2-carboxylate
CID 47006019
1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide
CID 103583251
1-(5-bromo-3-chloro-2-pyridinyl)-N-ethylpiperazine-2-carboxamide
CID 103582821
1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide
CID 103583254
1-(5-bromo-3-chloro-2-pyridinyl)-N-methoxyazetidin-3-imine
CID 126561655

Frequently Asked Questions

What is the IUPAC name of ethyl 5-bromo-2-(5-bromo-3-chloro-2-pyridinyl)-3,4-dihydropyrazole-3-carboxylate?
The IUPAC name of ethyl 5-bromo-2-(5-bromo-3-chloro-2-pyridinyl)-3,4-dihydropyrazole-3-carboxylate (CID 59765837) is ethyl 5-bromo-2-(5-bromo-3-chloro-2-pyridinyl)-3,4-dihydropyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-bromo-2-(5-bromo-3-chloro-2-pyridinyl)-3,4-dihydropyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-bromo-2-(5-bromo-3-chloro-2-pyridinyl)-3,4-dihydropyrazole-3-carboxylate is CCOC(=O)C1CC(Br)=NN1c1ncc(Br)cc1Cl.
What is the InChIKey of ethyl 5-bromo-2-(5-bromo-3-chloro-2-pyridinyl)-3,4-dihydropyrazole-3-carboxylate?
The InChIKey is DURUQKLPFBJBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2ClN3O2/c1-2-19-11(18)8-4-9(13)16-17(8)10-7(14)3-6(12)5-15-10/h3,5,8H,2,4H2,1H3.
What are the key properties of ethyl 5-bromo-2-(5-bromo-3-chloro-2-pyridinyl)-3,4-dihydropyrazole-3-carboxylate?
ethyl 5-bromo-2-(5-bromo-3-chloro-2-pyridinyl)-3,4-dihydropyrazole-3-carboxylate has a molecular weight of 411.48 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-bromo-2-(5-bromo-3-chloro-2-pyridinyl)-3,4-dihydropyrazole-3-carboxylate is sourced from PubChem (CID 59765837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).