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

C12H9BrClF3N2 — CID 104509024

IUPAC1-(4-bromo-2-methylphenyl)-5-chloro-4-methyl-3-(trifluoromethyl)pyrazole
SMILESCc1cc(Br)ccc1-n1nc(C(F)(F)F)c(C)c1Cl
InChIInChI=1S/C12H9BrClF3N2/c1-6-5-8(13)3-4-9(6)19-11(14)7(2)10(18-19)12(15,16)17/h3-5H,1-2H3
InChIKeySYPMNHPEJQTENZ-UHFFFAOYSA-N
MW353.57 g/mol
LogP4.92
Rot. Bonds1

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

1-(4-bromo-2-methylphenyl)-5-chloro-4-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 104509024) has the molecular formula C12H9BrClF3N2 and a molecular weight of 353.57 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-5-chloro-4-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-5-chloro-4-methyl-3-(trifluoromethyl)pyrazole
PubChem CID104509024
Molecular FormulaC12H9BrClF3N2
Molecular Weight353.57 g/mol
Exact Mass351.96
IUPAC Name1-(4-bromo-2-methylphenyl)-5-chloro-4-methyl-3-(trifluoromethyl)pyrazole
SMILESCc1cc(Br)ccc1-n1nc(C(F)(F)F)c(C)c1Cl
InChIInChI=1S/C12H9BrClF3N2/c1-6-5-8(13)3-4-9(6)19-11(14)7(2)10(18-19)12(15,16)17/h3-5H,1-2H3
InChIKeySYPMNHPEJQTENZ-UHFFFAOYSA-N
XLogP4.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.57
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-methylphenyl)-5-chloro-3,4-dimethylpyrazole
CID 104509036
1-(4-bromo-2-methylphenyl)-3-tert-butyl-5-chloro-4-(chloromethyl)pyrazole
CID 104508804
1-(4-bromo-2-methylphenyl)-5-chloro-4-ethyl-3-methylpyrazole
CID 104509030
1-(4-bromo-2-methylphenyl)-5-chloro-3-(difluoromethyl)pyrazole
CID 104509033
5-chloro-4-methyl-3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 81254924
5-chloro-1-(2,4-dimethylphenyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 43381634
1-(4-bromo-2-methylphenyl)-5-chloro-3-(difluoromethyl)pyrazole-4-carbonitrile
CID 104508930
2-[5-chloro-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-methylpyridine
CID 66021406
2-[1-(4-bromo-2-methylphenyl)-5-chloro-3-methylpyrazol-4-yl]ethanol
CID 116817882
5-chloro-1-(4-fluoro-2-methylphenyl)-4-nitro-3-(trifluoromethyl)pyrazole
CID 66015918
[1-(4-bromo-2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol
CID 104509084
2-[1-(4-bromo-2-methylphenyl)-5-chloro-3-methylpyrazol-4-yl]acetonitrile
CID 116817926

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-5-chloro-4-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-5-chloro-4-methyl-3-(trifluoromethyl)pyrazole (CID 104509024) is 1-(4-bromo-2-methylphenyl)-5-chloro-4-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-5-chloro-4-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-5-chloro-4-methyl-3-(trifluoromethyl)pyrazole is Cc1cc(Br)ccc1-n1nc(C(F)(F)F)c(C)c1Cl.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-5-chloro-4-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is SYPMNHPEJQTENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClF3N2/c1-6-5-8(13)3-4-9(6)19-11(14)7(2)10(18-19)12(15,16)17/h3-5H,1-2H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-5-chloro-4-methyl-3-(trifluoromethyl)pyrazole?
1-(4-bromo-2-methylphenyl)-5-chloro-4-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 353.57 g/mol, XLogP of 4.92, 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-methylphenyl)-5-chloro-4-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 104509024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).