5-(chloromethyl)-6-(2,5-dibromophenyl)-1,3-dimethylimidazo[4,5-d]pyrazole

C13H11Br2ClN4 — CID 79297324

IUPAC5-(chloromethyl)-6-(2,5-dibromophenyl)-1,3-dimethylimidazo[4,5-d]pyrazole
SMILESCc1nn(C)c2c1nc(CCl)n2-c1cc(Br)ccc1Br
InChIInChI=1S/C13H11Br2ClN4/c1-7-12-13(19(2)18-7)20(11(6-16)17-12)10-5-8(14)3-4-9(10)15/h3-5H,6H2,1-2H3
InChIKeyUUUIWEOZPFCMHX-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.33
Rot. Bonds2

About 5-(chloromethyl)-6-(2,5-dibromophenyl)-1,3-dimethylimidazo[4,5-d]pyrazole

5-(chloromethyl)-6-(2,5-dibromophenyl)-1,3-dimethylimidazo[4,5-d]pyrazole (PubChem CID 79297324) has the molecular formula C13H11Br2ClN4 and a molecular weight of 418.52 g/mol. Its IUPAC name is 5-(chloromethyl)-6-(2,5-dibromophenyl)-1,3-dimethylimidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name5-(chloromethyl)-6-(2,5-dibromophenyl)-1,3-dimethylimidazo[4,5-d]pyrazole
PubChem CID79297324
Molecular FormulaC13H11Br2ClN4
Molecular Weight418.52 g/mol
Exact Mass415.90
IUPAC Name5-(chloromethyl)-6-(2,5-dibromophenyl)-1,3-dimethylimidazo[4,5-d]pyrazole
SMILESCc1nn(C)c2c1nc(CCl)n2-c1cc(Br)ccc1Br
InChIInChI=1S/C13H11Br2ClN4/c1-7-12-13(19(2)18-7)20(11(6-16)17-12)10-5-8(14)3-4-9(10)15/h3-5H,6H2,1-2H3
InChIKeyUUUIWEOZPFCMHX-UHFFFAOYSA-N
XLogP4.33
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-(5-bromo-2-fluorophenyl)-5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79297526
6-(2-bromo-5-fluorophenyl)-5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazole
CID 107638160
5-(chloromethyl)-6-(4-fluoro-2-methylphenyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79297169
5-(chloromethyl)-6-(2,3-dimethylphenyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79297311
2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylaniline
CID 106760346
6-(5-bromo-2-chlorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 79297644
5-(chloromethyl)-6-(3,5-difluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79297663
4-chloro-2-(chloromethyl)-1-(2,5-dibromophenyl)benzimidazole
CID 104837784
2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-5-fluorobenzonitrile
CID 82683636
6-(4-chloro-3-methoxyphenyl)-5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 107622373
2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-6-methylbenzonitrile
CID 107799719
6-(3-chloro-4-methoxyphenyl)-5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79275792

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-6-(2,5-dibromophenyl)-1,3-dimethylimidazo[4,5-d]pyrazole?
The IUPAC name of 5-(chloromethyl)-6-(2,5-dibromophenyl)-1,3-dimethylimidazo[4,5-d]pyrazole (CID 79297324) is 5-(chloromethyl)-6-(2,5-dibromophenyl)-1,3-dimethylimidazo[4,5-d]pyrazole.
What is the SMILES notation for 5-(chloromethyl)-6-(2,5-dibromophenyl)-1,3-dimethylimidazo[4,5-d]pyrazole?
The canonical SMILES for 5-(chloromethyl)-6-(2,5-dibromophenyl)-1,3-dimethylimidazo[4,5-d]pyrazole is Cc1nn(C)c2c1nc(CCl)n2-c1cc(Br)ccc1Br.
What is the InChIKey of 5-(chloromethyl)-6-(2,5-dibromophenyl)-1,3-dimethylimidazo[4,5-d]pyrazole?
The InChIKey is UUUIWEOZPFCMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2ClN4/c1-7-12-13(19(2)18-7)20(11(6-16)17-12)10-5-8(14)3-4-9(10)15/h3-5H,6H2,1-2H3.
What are the key properties of 5-(chloromethyl)-6-(2,5-dibromophenyl)-1,3-dimethylimidazo[4,5-d]pyrazole?
5-(chloromethyl)-6-(2,5-dibromophenyl)-1,3-dimethylimidazo[4,5-d]pyrazole has a molecular weight of 418.52 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-6-(2,5-dibromophenyl)-1,3-dimethylimidazo[4,5-d]pyrazole is sourced from PubChem (CID 79297324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).