5-[(4-bromophenoxy)methyl]-1-(2,6-dichlorophenyl)-3-propan-2-ylpyrazole

C19H17BrCl2N2O — CID 59240102

IUPAC5-[(4-bromophenoxy)methyl]-1-(2,6-dichlorophenyl)-3-propan-2-ylpyrazole
SMILESCC(C)c1cc(COc2ccc(Br)cc2)n(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C19H17BrCl2N2O/c1-12(2)18-10-14(11-25-15-8-6-13(20)7-9-15)24(23-18)19-16(21)4-3-5-17(19)22/h3-10,12H,11H2,1-2H3
InChIKeyIUWVFUWUKOIKMC-UHFFFAOYSA-N
MW440.17 g/mol
LogP6.64
Rot. Bonds5

About 5-[(4-bromophenoxy)methyl]-1-(2,6-dichlorophenyl)-3-propan-2-ylpyrazole

5-[(4-bromophenoxy)methyl]-1-(2,6-dichlorophenyl)-3-propan-2-ylpyrazole (PubChem CID 59240102) has the molecular formula C19H17BrCl2N2O and a molecular weight of 440.17 g/mol. Its IUPAC name is 5-[(4-bromophenoxy)methyl]-1-(2,6-dichlorophenyl)-3-propan-2-ylpyrazole.

Molecular Properties

Compound Name5-[(4-bromophenoxy)methyl]-1-(2,6-dichlorophenyl)-3-propan-2-ylpyrazole
PubChem CID59240102
Molecular FormulaC19H17BrCl2N2O
Molecular Weight440.17 g/mol
Exact Mass437.99
IUPAC Name5-[(4-bromophenoxy)methyl]-1-(2,6-dichlorophenyl)-3-propan-2-ylpyrazole
SMILESCC(C)c1cc(COc2ccc(Br)cc2)n(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C19H17BrCl2N2O/c1-12(2)18-10-14(11-25-15-8-6-13(20)7-9-15)24(23-18)19-16(21)4-3-5-17(19)22/h3-10,12H,11H2,1-2H3
InChIKeyIUWVFUWUKOIKMC-UHFFFAOYSA-N
XLogP6.64
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.17
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[(4-bromophenoxy)methyl]-1-(2,6-dichlorophenyl)-3-propan-2-ylpyrazole 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 5-[(4-bromophenoxy)methyl]-1-(2,6-dichlorophenyl)-3-propan-2-ylpyrazole?
The IUPAC name of 5-[(4-bromophenoxy)methyl]-1-(2,6-dichlorophenyl)-3-propan-2-ylpyrazole (CID 59240102) is 5-[(4-bromophenoxy)methyl]-1-(2,6-dichlorophenyl)-3-propan-2-ylpyrazole.
What is the SMILES notation for 5-[(4-bromophenoxy)methyl]-1-(2,6-dichlorophenyl)-3-propan-2-ylpyrazole?
The canonical SMILES for 5-[(4-bromophenoxy)methyl]-1-(2,6-dichlorophenyl)-3-propan-2-ylpyrazole is CC(C)c1cc(COc2ccc(Br)cc2)n(-c2c(Cl)cccc2Cl)n1.
What is the InChIKey of 5-[(4-bromophenoxy)methyl]-1-(2,6-dichlorophenyl)-3-propan-2-ylpyrazole?
The InChIKey is IUWVFUWUKOIKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrCl2N2O/c1-12(2)18-10-14(11-25-15-8-6-13(20)7-9-15)24(23-18)19-16(21)4-3-5-17(19)22/h3-10,12H,11H2,1-2H3.
What are the key properties of 5-[(4-bromophenoxy)methyl]-1-(2,6-dichlorophenyl)-3-propan-2-ylpyrazole?
5-[(4-bromophenoxy)methyl]-1-(2,6-dichlorophenyl)-3-propan-2-ylpyrazole has a molecular weight of 440.17 g/mol, XLogP of 6.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenoxy)methyl]-1-(2,6-dichlorophenyl)-3-propan-2-ylpyrazole is sourced from PubChem (CID 59240102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).