1-(4-bromo-2-chlorophenyl)-4-methylpyrazole

C10H8BrClN2 — CID 84713061

IUPAC1-(4-bromo-2-chlorophenyl)-4-methylpyrazole
SMILESCc1cnn(-c2ccc(Br)cc2Cl)c1
InChIInChI=1S/C10H8BrClN2/c1-7-5-13-14(6-7)10-3-2-8(11)4-9(10)12/h2-6H,1H3
InChIKeyCHNXVJHKZIELQZ-UHFFFAOYSA-N
MW271.55 g/mol
LogP3.60
Rot. Bonds1

About 1-(4-bromo-2-chlorophenyl)-4-methylpyrazole

1-(4-bromo-2-chlorophenyl)-4-methylpyrazole (PubChem CID 84713061) has the molecular formula C10H8BrClN2 and a molecular weight of 271.55 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-4-methylpyrazole.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-4-methylpyrazole
PubChem CID84713061
Molecular FormulaC10H8BrClN2
Molecular Weight271.55 g/mol
Exact Mass269.96
IUPAC Name1-(4-bromo-2-chlorophenyl)-4-methylpyrazole
SMILESCc1cnn(-c2ccc(Br)cc2Cl)c1
InChIInChI=1S/C10H8BrClN2/c1-7-5-13-14(6-7)10-3-2-8(11)4-9(10)12/h2-6H,1H3
InChIKeyCHNXVJHKZIELQZ-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

3-chloro-4-(4-methylpyrazol-1-yl)phenol
CID 70819185
5-bromo-2-(4-methylpyrazol-1-yl)benzaldehyde
CID 84711366
1-[2-chloro-4-(chloromethyl)phenyl]-4-methylpyrazole
CID 81152621
(1R)-1-[3-chloro-4-(4-methylpyrazol-1-yl)phenyl]ethanamine
CID 63369287
1-[5-bromo-2-(4-methylpyrazol-1-yl)phenyl]-N-methylethanamine
CID 82967843
1-(4-bromo-2-chlorophenyl)-3-methyl-1,2,4-triazole
CID 150398834
1-[2-chloro-4-(furan-2-yl)phenyl]-4-methylpyrazole
CID 168527846
N-[[4-bromo-2-(4-methylpyrazol-1-yl)phenyl]methyl]propan-2-amine
CID 60872941
5-chloro-2-(4-methylpyrazol-1-yl)aniline
CID 19624514
(1R)-1-[4-(4-bromopyrazol-1-yl)-3-chlorophenyl]ethanol
CID 63372280
4-chloro-3-(4-methylpyrazol-1-yl)benzoic acid
CID 84699686
N-[[4-(4-bromopyrazol-1-yl)-3-chlorophenyl]methyl]-2-methylpropan-2-amine
CID 81149762

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-4-methylpyrazole?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-4-methylpyrazole (CID 84713061) is 1-(4-bromo-2-chlorophenyl)-4-methylpyrazole.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-4-methylpyrazole?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-4-methylpyrazole is Cc1cnn(-c2ccc(Br)cc2Cl)c1.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-4-methylpyrazole?
The InChIKey is CHNXVJHKZIELQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2/c1-7-5-13-14(6-7)10-3-2-8(11)4-9(10)12/h2-6H,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-4-methylpyrazole?
1-(4-bromo-2-chlorophenyl)-4-methylpyrazole 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 1-(4-bromo-2-chlorophenyl)-4-methylpyrazole is sourced from PubChem (CID 84713061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).