1-(2-bromophenyl)-4,5-dimethylpyrazole

C11H11BrN2 — CID 21033983

IUPAC1-(2-bromophenyl)-4,5-dimethylpyrazole
SMILESCc1cnn(-c2ccccc2Br)c1C
InChIInChI=1S/C11H11BrN2/c1-8-7-13-14(9(8)2)11-6-4-3-5-10(11)12/h3-7H,1-2H3
InChIKeyMWQXDUIAHPRETJ-UHFFFAOYSA-N
MW251.13 g/mol
LogP3.25
Rot. Bonds1

About 1-(2-bromophenyl)-4,5-dimethylpyrazole

1-(2-bromophenyl)-4,5-dimethylpyrazole (PubChem CID 21033983) has the molecular formula C11H11BrN2 and a molecular weight of 251.13 g/mol. Its IUPAC name is 1-(2-bromophenyl)-4,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(2-bromophenyl)-4,5-dimethylpyrazole
PubChem CID21033983
Molecular FormulaC11H11BrN2
Molecular Weight251.13 g/mol
Exact Mass250.01
IUPAC Name1-(2-bromophenyl)-4,5-dimethylpyrazole
SMILESCc1cnn(-c2ccccc2Br)c1C
InChIInChI=1S/C11H11BrN2/c1-8-7-13-14(9(8)2)11-6-4-3-5-10(11)12/h3-7H,1-2H3
InChIKeyMWQXDUIAHPRETJ-UHFFFAOYSA-N
XLogP3.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.13
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-4,5-dimethylpyrazole
CID 21033985
1-(2-bromophenyl)-5-methylpyrazole-4-carboxylic acid
CID 43542795
1-(2-bromophenyl)-5-methylpyrazole-4-carbohydrazide
CID 82528340
1-[1-(2-bromophenyl)-5-methylpyrazol-4-yl]-N-ethylethanamine
CID 61272128
[5-bromo-1-(2-bromophenyl)pyrazol-4-yl]methanol
CID 77174643
4-bromo-1-(2-bromophenyl)-5-(trifluoromethyl)pyrazole
CID 43542859
1-(2-bromophenyl)-5-chloropyrazol-4-amine
CID 115050693
[1-(2-bromophenyl)-5-methoxypyrazol-4-yl]methanamine
CID 115006431
1-(2-bromophenyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 61394887
[1-(2-bromophenyl)-5-propylpyrazol-4-yl]methanol
CID 66438779
1-(2-bromophenyl)-5-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 166156405
1-(2-bromophenyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 83904565

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-4,5-dimethylpyrazole?
The IUPAC name of 1-(2-bromophenyl)-4,5-dimethylpyrazole (CID 21033983) is 1-(2-bromophenyl)-4,5-dimethylpyrazole.
What is the SMILES notation for 1-(2-bromophenyl)-4,5-dimethylpyrazole?
The canonical SMILES for 1-(2-bromophenyl)-4,5-dimethylpyrazole is Cc1cnn(-c2ccccc2Br)c1C.
What is the InChIKey of 1-(2-bromophenyl)-4,5-dimethylpyrazole?
The InChIKey is MWQXDUIAHPRETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2/c1-8-7-13-14(9(8)2)11-6-4-3-5-10(11)12/h3-7H,1-2H3.
What are the key properties of 1-(2-bromophenyl)-4,5-dimethylpyrazole?
1-(2-bromophenyl)-4,5-dimethylpyrazole has a molecular weight of 251.13 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-4,5-dimethylpyrazole is sourced from PubChem (CID 21033983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).