1-[5-bromo-2-(chloromethyl)phenyl]pyrazole

C10H8BrClN2 — CID 43365163

IUPAC1-[5-bromo-2-(chloromethyl)phenyl]pyrazole
SMILESClCc1ccc(Br)cc1-n1cccn1
InChIInChI=1S/C10H8BrClN2/c11-9-3-2-8(7-12)10(6-9)14-5-1-4-13-14/h1-6H,7H2
InChIKeyDYQZNTLRPICPHO-UHFFFAOYSA-N
MW271.55 g/mol
LogP3.37
Rot. Bonds2

About 1-[5-bromo-2-(chloromethyl)phenyl]pyrazole

1-[5-bromo-2-(chloromethyl)phenyl]pyrazole (PubChem CID 43365163) has the molecular formula C10H8BrClN2 and a molecular weight of 271.55 g/mol. Its IUPAC name is 1-[5-bromo-2-(chloromethyl)phenyl]pyrazole.

Molecular Properties

Compound Name1-[5-bromo-2-(chloromethyl)phenyl]pyrazole
PubChem CID43365163
Molecular FormulaC10H8BrClN2
Molecular Weight271.55 g/mol
Exact Mass269.96
IUPAC Name1-[5-bromo-2-(chloromethyl)phenyl]pyrazole
SMILESClCc1ccc(Br)cc1-n1cccn1
InChIInChI=1S/C10H8BrClN2/c11-9-3-2-8(7-12)10(6-9)14-5-1-4-13-14/h1-6H,7H2
InChIKeyDYQZNTLRPICPHO-UHFFFAOYSA-N
XLogP3.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.55
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-2-pyrazol-1-ylphenyl)butan-2-amine
CID 63815700
1-[5-bromo-2-(chloromethyl)phenyl]imidazole
CID 43174120
(4-chloro-2-pyrazol-1-ylphenyl)methanol
CID 114845909
1-[5-bromo-2-(chloromethyl)phenyl]pyrrolidine
CID 43365127
1-[5-bromo-2-(chloromethyl)phenyl]azocane
CID 43365159
6-bromo-4-pyrazol-1-ylquinoline
CID 162750706
N-[(4-chloro-2-pyrazol-1-ylphenyl)methyl]ethanamine
CID 114854091
bis((4-bromo-2-pyrazol-1-ylphenyl)-(4-methyl-2-pyrazol-1-ylphenyl)azanide);nickel(2+)
CID 139142452
1-(4-bromophenyl)pyrazole
CID 10443564
1-[2-ethyl-5-(trifluoromethyl)phenyl]pyrazole
CID 126668779
1-[2-(bromomethyl)-4-methylphenyl]pyrazole
CID 106765702
4-bromo-2-(bromomethyl)-1-(chloromethyl)benzene
CID 90107482

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(chloromethyl)phenyl]pyrazole?
The IUPAC name of 1-[5-bromo-2-(chloromethyl)phenyl]pyrazole (CID 43365163) is 1-[5-bromo-2-(chloromethyl)phenyl]pyrazole.
What is the SMILES notation for 1-[5-bromo-2-(chloromethyl)phenyl]pyrazole?
The canonical SMILES for 1-[5-bromo-2-(chloromethyl)phenyl]pyrazole is ClCc1ccc(Br)cc1-n1cccn1.
What is the InChIKey of 1-[5-bromo-2-(chloromethyl)phenyl]pyrazole?
The InChIKey is DYQZNTLRPICPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2/c11-9-3-2-8(7-12)10(6-9)14-5-1-4-13-14/h1-6H,7H2.
What are the key properties of 1-[5-bromo-2-(chloromethyl)phenyl]pyrazole?
1-[5-bromo-2-(chloromethyl)phenyl]pyrazole has a molecular weight of 271.55 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(chloromethyl)phenyl]pyrazole is sourced from PubChem (CID 43365163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).