5-bromo-3-(3-chlorophenyl)-1-methylpyrazole

C10H8BrClN2 — CID 84713065

IUPAC5-bromo-3-(3-chlorophenyl)-1-methylpyrazole
SMILESCn1nc(-c2cccc(Cl)c2)cc1Br
InChIInChI=1S/C10H8BrClN2/c1-14-10(11)6-9(13-14)7-3-2-4-8(12)5-7/h2-6H,1H3
InChIKeyLYKYSYUKLUJQCQ-UHFFFAOYSA-N
MW271.55 g/mol
LogP3.50
Rot. Bonds1

About 5-bromo-3-(3-chlorophenyl)-1-methylpyrazole

5-bromo-3-(3-chlorophenyl)-1-methylpyrazole (PubChem CID 84713065) has the molecular formula C10H8BrClN2 and a molecular weight of 271.55 g/mol. Its IUPAC name is 5-bromo-3-(3-chlorophenyl)-1-methylpyrazole.

Molecular Properties

Compound Name5-bromo-3-(3-chlorophenyl)-1-methylpyrazole
PubChem CID84713065
Molecular FormulaC10H8BrClN2
Molecular Weight271.55 g/mol
Exact Mass269.96
IUPAC Name5-bromo-3-(3-chlorophenyl)-1-methylpyrazole
SMILESCn1nc(-c2cccc(Cl)c2)cc1Br
InChIInChI=1S/C10H8BrClN2/c1-14-10(11)6-9(13-14)7-3-2-4-8(12)5-7/h2-6H,1H3
InChIKeyLYKYSYUKLUJQCQ-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-(4-chlorophenyl)-1-methylpyrazole
CID 84713066
6-(3-chlorophenyl)-2-methylpyridazin-3-one
CID 102592574
1-tert-butyl-3-(3-chlorophenyl)pyrazol-5-amine
CID 43381448
5-bromo-2-(3-chlorophenyl)imidazo[1,2-a]pyridine
CID 117133012
5-bromo-3-(4-methoxyphenyl)-1-methylpyrazole
CID 84711805
5-bromo-3-chloro-1-methylpyrazole
CID 84666517
3-(3-chlorophenyl)-1-(1-cyclopropylethyl)pyrazol-5-amine
CID 61271897
2-bromo-6-(3-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 43159278
5-chloro-3-(3-chlorophenyl)-1-methylindazole
CID 166430746
3-(3-chlorophenyl)-1,4-dimethyl-1,2,4-triazol-4-ium
CID 134121284
3-(3-chlorophenyl)-4-methyl-1,2,4-triazole
CID 79002375
3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)pyrazol-5-amine
CID 43542636

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(3-chlorophenyl)-1-methylpyrazole?
The IUPAC name of 5-bromo-3-(3-chlorophenyl)-1-methylpyrazole (CID 84713065) is 5-bromo-3-(3-chlorophenyl)-1-methylpyrazole.
What is the SMILES notation for 5-bromo-3-(3-chlorophenyl)-1-methylpyrazole?
The canonical SMILES for 5-bromo-3-(3-chlorophenyl)-1-methylpyrazole is Cn1nc(-c2cccc(Cl)c2)cc1Br.
What is the InChIKey of 5-bromo-3-(3-chlorophenyl)-1-methylpyrazole?
The InChIKey is LYKYSYUKLUJQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2/c1-14-10(11)6-9(13-14)7-3-2-4-8(12)5-7/h2-6H,1H3.
What are the key properties of 5-bromo-3-(3-chlorophenyl)-1-methylpyrazole?
5-bromo-3-(3-chlorophenyl)-1-methylpyrazole has a molecular weight of 271.55 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(3-chlorophenyl)-1-methylpyrazole is sourced from PubChem (CID 84713065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).