4-bromo-1-(3-bromophenyl)-5-(trifluoromethyl)pyrazole

C10H5Br2F3N2 — CID 43542709

IUPAC4-bromo-1-(3-bromophenyl)-5-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1c(Br)cnn1-c1cccc(Br)c1
InChIInChI=1S/C10H5Br2F3N2/c11-6-2-1-3-7(4-6)17-9(10(13,14)15)8(12)5-16-17/h1-5H
InChIKeyVRGRFSVUFOCACP-UHFFFAOYSA-N
MW369.97 g/mol
LogP4.42
Rot. Bonds1

About 4-bromo-1-(3-bromophenyl)-5-(trifluoromethyl)pyrazole

4-bromo-1-(3-bromophenyl)-5-(trifluoromethyl)pyrazole (PubChem CID 43542709) has the molecular formula C10H5Br2F3N2 and a molecular weight of 369.97 g/mol. Its IUPAC name is 4-bromo-1-(3-bromophenyl)-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-bromo-1-(3-bromophenyl)-5-(trifluoromethyl)pyrazole
PubChem CID43542709
Molecular FormulaC10H5Br2F3N2
Molecular Weight369.97 g/mol
Exact Mass367.88
IUPAC Name4-bromo-1-(3-bromophenyl)-5-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1c(Br)cnn1-c1cccc(Br)c1
InChIInChI=1S/C10H5Br2F3N2/c11-6-2-1-3-7(4-6)17-9(10(13,14)15)8(12)5-16-17/h1-5H
InChIKeyVRGRFSVUFOCACP-UHFFFAOYSA-N
XLogP4.42
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.97
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-amine
CID 66440827
[1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine
CID 66440508
N-[[1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine
CID 66442319
4-bromo-1-(2-bromophenyl)-5-(trifluoromethyl)pyrazole
CID 43542859
1-(3-bromophenyl)-5-fluoropyrazol-4-amine
CID 115047671
2-[4-bromo-5-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 29078485
2-[1-(3-bromophenyl)-5-methylpyrazol-4-yl]propan-2-amine
CID 82528324
2-(4-bromo-1-phenylpyrazol-5-yl)-2,2-difluoroacetic acid
CID 115053519
2-(4-bromo-1-phenylpyrazol-5-yl)-2,2-difluoroethanamine
CID 115053464
1-(3-bromophenyl)-4-(chloromethyl)-5-(difluoromethyl)pyrazole
CID 66437064
4-(chloromethyl)-1-(3-methylphenyl)-5-(trifluoromethyl)pyrazole
CID 66436395
[1-(3-bromophenyl)-5-chloropyrazol-4-yl]methanamine
CID 115052372

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(3-bromophenyl)-5-(trifluoromethyl)pyrazole?
The IUPAC name of 4-bromo-1-(3-bromophenyl)-5-(trifluoromethyl)pyrazole (CID 43542709) is 4-bromo-1-(3-bromophenyl)-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-bromo-1-(3-bromophenyl)-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-bromo-1-(3-bromophenyl)-5-(trifluoromethyl)pyrazole is FC(F)(F)c1c(Br)cnn1-c1cccc(Br)c1.
What is the InChIKey of 4-bromo-1-(3-bromophenyl)-5-(trifluoromethyl)pyrazole?
The InChIKey is VRGRFSVUFOCACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Br2F3N2/c11-6-2-1-3-7(4-6)17-9(10(13,14)15)8(12)5-16-17/h1-5H.
What are the key properties of 4-bromo-1-(3-bromophenyl)-5-(trifluoromethyl)pyrazole?
4-bromo-1-(3-bromophenyl)-5-(trifluoromethyl)pyrazole has a molecular weight of 369.97 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(3-bromophenyl)-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 43542709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).