1-(4-bromo-2-methylphenyl)-5-chloro-3,4-dimethylpyrazole

C12H12BrClN2 — CID 104509036

IUPAC1-(4-bromo-2-methylphenyl)-5-chloro-3,4-dimethylpyrazole
SMILESCc1cc(Br)ccc1-n1nc(C)c(C)c1Cl
InChIInChI=1S/C12H12BrClN2/c1-7-6-10(13)4-5-11(7)16-12(14)8(2)9(3)15-16/h4-6H,1-3H3
InChIKeyZHAITAXIUANDBC-UHFFFAOYSA-N
MW299.60 g/mol
LogP4.21
Rot. Bonds1

About 1-(4-bromo-2-methylphenyl)-5-chloro-3,4-dimethylpyrazole

1-(4-bromo-2-methylphenyl)-5-chloro-3,4-dimethylpyrazole (PubChem CID 104509036) has the molecular formula C12H12BrClN2 and a molecular weight of 299.60 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-5-chloro-3,4-dimethylpyrazole.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-5-chloro-3,4-dimethylpyrazole
PubChem CID104509036
Molecular FormulaC12H12BrClN2
Molecular Weight299.60 g/mol
Exact Mass297.99
IUPAC Name1-(4-bromo-2-methylphenyl)-5-chloro-3,4-dimethylpyrazole
SMILESCc1cc(Br)ccc1-n1nc(C)c(C)c1Cl
InChIInChI=1S/C12H12BrClN2/c1-7-6-10(13)4-5-11(7)16-12(14)8(2)9(3)15-16/h4-6H,1-3H3
InChIKeyZHAITAXIUANDBC-UHFFFAOYSA-N
XLogP4.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.60
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-methylphenyl)-5-chloro-4-ethyl-3-methylpyrazole
CID 104509030
1-(4-bromo-2-methylphenyl)-5-chloro-4-methyl-3-(trifluoromethyl)pyrazole
CID 104509024
2-[1-(4-bromo-2-methylphenyl)-5-chloro-3-methylpyrazol-4-yl]ethanol
CID 116817882
2-[1-(4-bromo-2-methylphenyl)-5-chloro-3-methylpyrazol-4-yl]acetonitrile
CID 116817926
1-(4-bromo-2-methylphenyl)-5-chloro-3-(difluoromethyl)pyrazole
CID 104509033
2-(4-bromo-2-methylphenyl)-5-methylpyrazol-3-amine
CID 82091925
1-(4-bromo-2-methylphenyl)-3-tert-butyl-5-chloro-4-(chloromethyl)pyrazole
CID 104508804
1-(4-bromo-2-methylphenyl)-5-chloro-3-(difluoromethyl)pyrazole-4-carbonitrile
CID 104508930
5-chloro-1-(2-chlorophenyl)-3,4-dimethylpyrazole
CID 66023026
5-chloro-1-(2,4-dimethylphenyl)-3-ethyl-4-methylpyrazole
CID 66021998
3-[1-(4-bromo-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
CID 104509106
1-(4-bromo-2-methylphenyl)-5-chloro-3-(2-methylpropyl)-4-nitropyrazole
CID 104509038

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-5-chloro-3,4-dimethylpyrazole?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-5-chloro-3,4-dimethylpyrazole (CID 104509036) is 1-(4-bromo-2-methylphenyl)-5-chloro-3,4-dimethylpyrazole.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-5-chloro-3,4-dimethylpyrazole?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-5-chloro-3,4-dimethylpyrazole is Cc1cc(Br)ccc1-n1nc(C)c(C)c1Cl.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-5-chloro-3,4-dimethylpyrazole?
The InChIKey is ZHAITAXIUANDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2/c1-7-6-10(13)4-5-11(7)16-12(14)8(2)9(3)15-16/h4-6H,1-3H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-5-chloro-3,4-dimethylpyrazole?
1-(4-bromo-2-methylphenyl)-5-chloro-3,4-dimethylpyrazole has a molecular weight of 299.60 g/mol, XLogP of 4.21, 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-3,4-dimethylpyrazole is sourced from PubChem (CID 104509036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).