1-(4-bromo-2-methylphenyl)-5-chloro-3-(difluoromethyl)pyrazole

C11H8BrClF2N2 — CID 104509033

IUPAC1-(4-bromo-2-methylphenyl)-5-chloro-3-(difluoromethyl)pyrazole
SMILESCc1cc(Br)ccc1-n1nc(C(F)F)cc1Cl
InChIInChI=1S/C11H8BrClF2N2/c1-6-4-7(12)2-3-9(6)17-10(13)5-8(16-17)11(14)15/h2-5,11H,1H3
InChIKeyJYEXNQQWZUPYHD-UHFFFAOYSA-N
MW321.55 g/mol
LogP4.53
Rot. Bonds2

About 1-(4-bromo-2-methylphenyl)-5-chloro-3-(difluoromethyl)pyrazole

1-(4-bromo-2-methylphenyl)-5-chloro-3-(difluoromethyl)pyrazole (PubChem CID 104509033) has the molecular formula C11H8BrClF2N2 and a molecular weight of 321.55 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-5-chloro-3-(difluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-5-chloro-3-(difluoromethyl)pyrazole
PubChem CID104509033
Molecular FormulaC11H8BrClF2N2
Molecular Weight321.55 g/mol
Exact Mass319.95
IUPAC Name1-(4-bromo-2-methylphenyl)-5-chloro-3-(difluoromethyl)pyrazole
SMILESCc1cc(Br)ccc1-n1nc(C(F)F)cc1Cl
InChIInChI=1S/C11H8BrClF2N2/c1-6-4-7(12)2-3-9(6)17-10(13)5-8(16-17)11(14)15/h2-5,11H,1H3
InChIKeyJYEXNQQWZUPYHD-UHFFFAOYSA-N
XLogP4.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.55
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-methylphenyl)-5-chloro-3-(difluoromethyl)pyrazole-4-carbonitrile
CID 104508930
5-chloro-1-(4-fluoro-2-methylphenyl)-3-propan-2-ylpyrazole
CID 66013919
1-(4-bromo-2-methylphenyl)-5-chloro-3,4-dimethylpyrazole
CID 104509036
1-(4-bromo-2-methylphenyl)-5-chloro-4-methyl-3-(trifluoromethyl)pyrazole
CID 104509024
1-(4-bromo-2-methylphenyl)-5-chloro-4-ethyl-3-methylpyrazole
CID 104509030
2-(4-bromo-2-methylphenyl)-5-methylpyrazol-3-amine
CID 82091925
5-chloro-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole
CID 66015719
4-[5-chloro-3-(difluoromethyl)pyrazol-1-yl]-2,6-dimethylpyrimidine
CID 79823295
2-[1-(4-bromo-2-methylphenyl)-5-chloro-3-methylpyrazol-4-yl]ethanol
CID 116817882
1-[(3-bromophenyl)methyl]-5-chloro-3-(difluoromethyl)pyrazole
CID 66016696
2-[1-(4-bromo-2-methylphenyl)-5-chloro-3-methylpyrazol-4-yl]acetonitrile
CID 116817926
1-(4-bromo-2-methylphenyl)-3-tert-butyl-5-chloro-4-(chloromethyl)pyrazole
CID 104508804

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-5-chloro-3-(difluoromethyl)pyrazole?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-5-chloro-3-(difluoromethyl)pyrazole (CID 104509033) is 1-(4-bromo-2-methylphenyl)-5-chloro-3-(difluoromethyl)pyrazole.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-5-chloro-3-(difluoromethyl)pyrazole?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-5-chloro-3-(difluoromethyl)pyrazole is Cc1cc(Br)ccc1-n1nc(C(F)F)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-5-chloro-3-(difluoromethyl)pyrazole?
The InChIKey is JYEXNQQWZUPYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClF2N2/c1-6-4-7(12)2-3-9(6)17-10(13)5-8(16-17)11(14)15/h2-5,11H,1H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-5-chloro-3-(difluoromethyl)pyrazole?
1-(4-bromo-2-methylphenyl)-5-chloro-3-(difluoromethyl)pyrazole has a molecular weight of 321.55 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-5-chloro-3-(difluoromethyl)pyrazole is sourced from PubChem (CID 104509033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).