4-bromo-5-chloro-1-(4-methylphenyl)pyrazole

C10H8BrClN2 — CID 115050545

IUPAC4-bromo-5-chloro-1-(4-methylphenyl)pyrazole
SMILESCc1ccc(-n2ncc(Br)c2Cl)cc1
InChIInChI=1S/C10H8BrClN2/c1-7-2-4-8(5-3-7)14-10(12)9(11)6-13-14/h2-6H,1H3
InChIKeyLMCQBLZOWSEMHB-UHFFFAOYSA-N
MW271.55 g/mol
LogP3.60
Rot. Bonds1

About 4-bromo-5-chloro-1-(4-methylphenyl)pyrazole

4-bromo-5-chloro-1-(4-methylphenyl)pyrazole (PubChem CID 115050545) has the molecular formula C10H8BrClN2 and a molecular weight of 271.55 g/mol. Its IUPAC name is 4-bromo-5-chloro-1-(4-methylphenyl)pyrazole.

Molecular Properties

Compound Name4-bromo-5-chloro-1-(4-methylphenyl)pyrazole
PubChem CID115050545
Molecular FormulaC10H8BrClN2
Molecular Weight271.55 g/mol
Exact Mass269.96
IUPAC Name4-bromo-5-chloro-1-(4-methylphenyl)pyrazole
SMILESCc1ccc(-n2ncc(Br)c2Cl)cc1
InChIInChI=1S/C10H8BrClN2/c1-7-2-4-8(5-3-7)14-10(12)9(11)6-13-14/h2-6H,1H3
InChIKeyLMCQBLZOWSEMHB-UHFFFAOYSA-N
XLogP3.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.55
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-1-(4-chlorophenyl)-4-methylpyrazole
CID 20686663
1-(4-bromophenyl)-5-chloro-4-methoxypyrazole
CID 117233068
4-chloro-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 11207298
5-bromo-1-(4-methylphenyl)triazole
CID 115042438
2-[5-bromo-1-(4-methylphenyl)pyrazol-4-yl]-N-methylethanamine
CID 115053251
4,5-dimethyl-2-(4-methylphenyl)pyridazin-3-one
CID 144652032
5-chloro-N-cyclohexyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 58433770
4-bromo-2-(4-chlorophenyl)-5-methylpyridazin-3-one
CID 13187394
ethane;5-ethyl-4-methyl-1-(4-methylphenyl)pyrazole
CID 91061199
5-methyl-1-(4-methylphenyl)pyrazole
CID 53302146
4-bromo-5-ethoxy-2-(4-methylphenyl)pyridazin-3-one
CID 1487499
4-chloro-1-(4-methylphenyl)-N-prop-2-enylpyrazole-5-carboxamide
CID 4637238

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-chloro-1-(4-methylphenyl)pyrazole?
The IUPAC name of 4-bromo-5-chloro-1-(4-methylphenyl)pyrazole (CID 115050545) is 4-bromo-5-chloro-1-(4-methylphenyl)pyrazole.
What is the SMILES notation for 4-bromo-5-chloro-1-(4-methylphenyl)pyrazole?
The canonical SMILES for 4-bromo-5-chloro-1-(4-methylphenyl)pyrazole is Cc1ccc(-n2ncc(Br)c2Cl)cc1.
What is the InChIKey of 4-bromo-5-chloro-1-(4-methylphenyl)pyrazole?
The InChIKey is LMCQBLZOWSEMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2/c1-7-2-4-8(5-3-7)14-10(12)9(11)6-13-14/h2-6H,1H3.
What are the key properties of 4-bromo-5-chloro-1-(4-methylphenyl)pyrazole?
4-bromo-5-chloro-1-(4-methylphenyl)pyrazole has a molecular weight of 271.55 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-chloro-1-(4-methylphenyl)pyrazole is sourced from PubChem (CID 115050545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).