1-(3-bromophenyl)-3-methyl-5-(trifluoromethyl)pyrazole

C11H8BrF3N2 — CID 10709686

IUPAC1-(3-bromophenyl)-3-methyl-5-(trifluoromethyl)pyrazole
SMILESCc1cc(C(F)(F)F)n(-c2cccc(Br)c2)n1
InChIInChI=1S/C11H8BrF3N2/c1-7-5-10(11(13,14)15)17(16-7)9-4-2-3-8(12)6-9/h2-6H,1H3
InChIKeyCICMRPFDXGTONW-UHFFFAOYSA-N
MW305.10 g/mol
LogP3.96
Rot. Bonds1

About 1-(3-bromophenyl)-3-methyl-5-(trifluoromethyl)pyrazole

1-(3-bromophenyl)-3-methyl-5-(trifluoromethyl)pyrazole (PubChem CID 10709686) has the molecular formula C11H8BrF3N2 and a molecular weight of 305.10 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-methyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-methyl-5-(trifluoromethyl)pyrazole
PubChem CID10709686
Molecular FormulaC11H8BrF3N2
Molecular Weight305.10 g/mol
Exact Mass303.98
IUPAC Name1-(3-bromophenyl)-3-methyl-5-(trifluoromethyl)pyrazole
SMILESCc1cc(C(F)(F)F)n(-c2cccc(Br)c2)n1
InChIInChI=1S/C11H8BrF3N2/c1-7-5-10(11(13,14)15)17(16-7)9-4-2-3-8(12)6-9/h2-6H,1H3
InChIKeyCICMRPFDXGTONW-UHFFFAOYSA-N
XLogP3.96
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.10
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-methyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(3-bromophenyl)-3-methyl-5-(trifluoromethyl)pyrazole (CID 10709686) is 1-(3-bromophenyl)-3-methyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(3-bromophenyl)-3-methyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(3-bromophenyl)-3-methyl-5-(trifluoromethyl)pyrazole is Cc1cc(C(F)(F)F)n(-c2cccc(Br)c2)n1.
What is the InChIKey of 1-(3-bromophenyl)-3-methyl-5-(trifluoromethyl)pyrazole?
The InChIKey is CICMRPFDXGTONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF3N2/c1-7-5-10(11(13,14)15)17(16-7)9-4-2-3-8(12)6-9/h2-6H,1H3.
What are the key properties of 1-(3-bromophenyl)-3-methyl-5-(trifluoromethyl)pyrazole?
1-(3-bromophenyl)-3-methyl-5-(trifluoromethyl)pyrazole has a molecular weight of 305.10 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-methyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 10709686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).