3,5-dibromo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole

C11H7Br2F3N2 — CID 114692714

IUPAC3,5-dibromo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
SMILESFC(F)(F)c1cccc(Cn2nc(Br)cc2Br)c1
InChIInChI=1S/C11H7Br2F3N2/c12-9-5-10(13)18(17-9)6-7-2-1-3-8(4-7)11(14,15)16/h1-5H,6H2
InChIKeyRURIQGGVHKABFP-UHFFFAOYSA-N
MW383.99 g/mol
LogP4.48
Rot. Bonds2

About 3,5-dibromo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole

3,5-dibromo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole (PubChem CID 114692714) has the molecular formula C11H7Br2F3N2 and a molecular weight of 383.99 g/mol. Its IUPAC name is 3,5-dibromo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole.

Molecular Properties

Compound Name3,5-dibromo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
PubChem CID114692714
Molecular FormulaC11H7Br2F3N2
Molecular Weight383.99 g/mol
Exact Mass381.89
IUPAC Name3,5-dibromo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
SMILESFC(F)(F)c1cccc(Cn2nc(Br)cc2Br)c1
InChIInChI=1S/C11H7Br2F3N2/c12-9-5-10(13)18(17-9)6-7-2-1-3-8(4-7)11(14,15)16/h1-5H,6H2
InChIKeyRURIQGGVHKABFP-UHFFFAOYSA-N
XLogP4.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.99
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-iodo-3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
CID 79785518
3,5-bis(3-bromophenyl)-4-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
CID 19587018
1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole
CID 23274336
7-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]indazole
CID 67186508
1-(bromomethyl)-3-(trifluoromethyl)benzene;8-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 87302446
5-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]indole
CID 116619723
1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine
CID 129205660
4-iodo-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole
CID 90149446
5-cyano-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 70503319
4-chloro-3,5-bis(4-fluorophenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
CID 19586843
1-bromo-3-[2-[3-(trifluoromethyl)phenyl]ethyl]benzene
CID 172602830
5-chloro-4-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
CID 117232554

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole?
The IUPAC name of 3,5-dibromo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole (CID 114692714) is 3,5-dibromo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole.
What is the SMILES notation for 3,5-dibromo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole?
The canonical SMILES for 3,5-dibromo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole is FC(F)(F)c1cccc(Cn2nc(Br)cc2Br)c1.
What is the InChIKey of 3,5-dibromo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole?
The InChIKey is RURIQGGVHKABFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2F3N2/c12-9-5-10(13)18(17-9)6-7-2-1-3-8(4-7)11(14,15)16/h1-5H,6H2.
What are the key properties of 3,5-dibromo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole?
3,5-dibromo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole has a molecular weight of 383.99 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole is sourced from PubChem (CID 114692714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).