4-bromo-1-[(4-bromophenyl)methyl]-3-iodopyrazole

C10H7Br2IN2 — CID 79784994

IUPAC4-bromo-1-[(4-bromophenyl)methyl]-3-iodopyrazole
SMILESBrc1ccc(Cn2cc(Br)c(I)n2)cc1
InChIInChI=1S/C10H7Br2IN2/c11-8-3-1-7(2-4-8)5-15-6-9(12)10(13)14-15/h1-4,6H,5H2
InChIKeyYQHMZNRJUZARIS-UHFFFAOYSA-N
MW441.89 g/mol
LogP4.06
Rot. Bonds2

About 4-bromo-1-[(4-bromophenyl)methyl]-3-iodopyrazole

4-bromo-1-[(4-bromophenyl)methyl]-3-iodopyrazole (PubChem CID 79784994) has the molecular formula C10H7Br2IN2 and a molecular weight of 441.89 g/mol. Its IUPAC name is 4-bromo-1-[(4-bromophenyl)methyl]-3-iodopyrazole.

Molecular Properties

Compound Name4-bromo-1-[(4-bromophenyl)methyl]-3-iodopyrazole
PubChem CID79784994
Molecular FormulaC10H7Br2IN2
Molecular Weight441.89 g/mol
Exact Mass439.80
IUPAC Name4-bromo-1-[(4-bromophenyl)methyl]-3-iodopyrazole
SMILESBrc1ccc(Cn2cc(Br)c(I)n2)cc1
InChIInChI=1S/C10H7Br2IN2/c11-8-3-1-7(2-4-8)5-15-6-9(12)10(13)14-15/h1-4,6H,5H2
InChIKeyYQHMZNRJUZARIS-UHFFFAOYSA-N
XLogP4.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.89
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-3-iodo-1-[(4-propan-2-ylphenyl)methyl]pyrazole
CID 79784426
4-bromo-1-[(2,6-dichlorophenyl)methyl]-3-iodopyrazole
CID 79784613
4-bromo-3-iodo-1-[(3-methylphenyl)methyl]pyrazole
CID 79784801
1-[(3-bromophenyl)methyl]-4-chloro-3-iodopyrazole
CID 79784977
4-chloro-1-[(4-ethylphenyl)methyl]-3-iodopyrazole
CID 79785537
4-bromo-3-iodo-1-[2-(4-methoxyphenyl)ethyl]pyrazole
CID 79784611
1-[(4-fluorophenyl)methyl]-3-iodo-4-methylpyrazole
CID 79787093
1-[(3-bromo-5-fluorophenyl)methyl]-4-chloro-3-iodopyrazole
CID 79785072
4-bromo-N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19345019
1,4,7,10-tetrakis[(4-bromophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 71732809
4-[[4-bromo-3-(difluoromethyl)pyrazol-1-yl]methyl]benzoic acid
CID 175087176
1-[(4-bromophenyl)methyl]-4-iodo-3,5-dimethylpyrazole
CID 79784286

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(4-bromophenyl)methyl]-3-iodopyrazole?
The IUPAC name of 4-bromo-1-[(4-bromophenyl)methyl]-3-iodopyrazole (CID 79784994) is 4-bromo-1-[(4-bromophenyl)methyl]-3-iodopyrazole.
What is the SMILES notation for 4-bromo-1-[(4-bromophenyl)methyl]-3-iodopyrazole?
The canonical SMILES for 4-bromo-1-[(4-bromophenyl)methyl]-3-iodopyrazole is Brc1ccc(Cn2cc(Br)c(I)n2)cc1.
What is the InChIKey of 4-bromo-1-[(4-bromophenyl)methyl]-3-iodopyrazole?
The InChIKey is YQHMZNRJUZARIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2IN2/c11-8-3-1-7(2-4-8)5-15-6-9(12)10(13)14-15/h1-4,6H,5H2.
What are the key properties of 4-bromo-1-[(4-bromophenyl)methyl]-3-iodopyrazole?
4-bromo-1-[(4-bromophenyl)methyl]-3-iodopyrazole has a molecular weight of 441.89 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(4-bromophenyl)methyl]-3-iodopyrazole is sourced from PubChem (CID 79784994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).