1-[(4-bromo-2-chlorophenyl)methyl]-3-(trifluoromethyl)pyrazole

C11H7BrClF3N2 — CID 113228486

IUPAC1-[(4-bromo-2-chlorophenyl)methyl]-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccn(Cc2ccc(Br)cc2Cl)n1
InChIInChI=1S/C11H7BrClF3N2/c12-8-2-1-7(9(13)5-8)6-18-4-3-10(17-18)11(14,15)16/h1-5H,6H2
InChIKeyRRSYTLLYCGCVJS-UHFFFAOYSA-N
MW339.54 g/mol
LogP4.37
Rot. Bonds2

About 1-[(4-bromo-2-chlorophenyl)methyl]-3-(trifluoromethyl)pyrazole

1-[(4-bromo-2-chlorophenyl)methyl]-3-(trifluoromethyl)pyrazole (PubChem CID 113228486) has the molecular formula C11H7BrClF3N2 and a molecular weight of 339.54 g/mol. Its IUPAC name is 1-[(4-bromo-2-chlorophenyl)methyl]-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-[(4-bromo-2-chlorophenyl)methyl]-3-(trifluoromethyl)pyrazole
PubChem CID113228486
Molecular FormulaC11H7BrClF3N2
Molecular Weight339.54 g/mol
Exact Mass337.94
IUPAC Name1-[(4-bromo-2-chlorophenyl)methyl]-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccn(Cc2ccc(Br)cc2Cl)n1
InChIInChI=1S/C11H7BrClF3N2/c12-8-2-1-7(9(13)5-8)6-18-4-3-10(17-18)11(14,15)16/h1-5H,6H2
InChIKeyRRSYTLLYCGCVJS-UHFFFAOYSA-N
XLogP4.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.54
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-Bromophenyl)-1-methyl-1H-pyrazole
CID 2819635
3-(4-bromophenyl)-5-chloro-1-methyl-1H-pyrazole
CID 12035670
5-(4-Bromophenyl)-1-methyl-1H-pyrazole
CID 12581092
1-[(4-Bromophenyl)methyl]-3-(trifluoromethyl)pyrazole
CID 52176438
5-(4-bromophenyl)-1-(2-chloroethyl)-3-(trifluoromethyl)-1H-pyrazole
CID 59632103
5-(4-Bromo-2-fluorophenyl)-1-methylpyrazole
CID 59729458
3-bromo-5-(2-chloro-4-fluorophenyl)-1-methyl-1H-pyrazole
CID 66613577
5-(4-bromo-3-fluorophenyl)-1-methyl-1H-pyrazole
CID 66657451
5-(4-Bromo-2-fluoro-benzyl)-1-methylpyrazole
CID 66657454
3-Tert-butyl-1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrazole
CID 69114810
1-[[2-Chloro-4-(trifluoromethyl)phenyl]methyl]-3-propan-2-ylpyrazole
CID 69115214
4-Bromo-3-(5-chloro-2-fluorophenyl)-1-methylpyrazole
CID 83747298

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2-chlorophenyl)methyl]-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-[(4-bromo-2-chlorophenyl)methyl]-3-(trifluoromethyl)pyrazole (CID 113228486) is 1-[(4-bromo-2-chlorophenyl)methyl]-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-[(4-bromo-2-chlorophenyl)methyl]-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-[(4-bromo-2-chlorophenyl)methyl]-3-(trifluoromethyl)pyrazole is FC(F)(F)c1ccn(Cc2ccc(Br)cc2Cl)n1.
What is the InChIKey of 1-[(4-bromo-2-chlorophenyl)methyl]-3-(trifluoromethyl)pyrazole?
The InChIKey is RRSYTLLYCGCVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClF3N2/c12-8-2-1-7(9(13)5-8)6-18-4-3-10(17-18)11(14,15)16/h1-5H,6H2.
What are the key properties of 1-[(4-bromo-2-chlorophenyl)methyl]-3-(trifluoromethyl)pyrazole?
1-[(4-bromo-2-chlorophenyl)methyl]-3-(trifluoromethyl)pyrazole has a molecular weight of 339.54 g/mol, XLogP of 4.37, 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-chlorophenyl)methyl]-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 113228486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).