3,5-dibromo-1-[(2,5-difluorophenyl)methyl]pyrazole

C10H6Br2F2N2 — CID 114692696

IUPAC3,5-dibromo-1-[(2,5-difluorophenyl)methyl]pyrazole
SMILESFc1ccc(F)c(Cn2nc(Br)cc2Br)c1
InChIInChI=1S/C10H6Br2F2N2/c11-9-4-10(12)16(15-9)5-6-3-7(13)1-2-8(6)14/h1-4H,5H2
InChIKeyASMXTELMCRAOPH-UHFFFAOYSA-N
MW351.98 g/mol
LogP3.73
Rot. Bonds2

About 3,5-dibromo-1-[(2,5-difluorophenyl)methyl]pyrazole

3,5-dibromo-1-[(2,5-difluorophenyl)methyl]pyrazole (PubChem CID 114692696) has the molecular formula C10H6Br2F2N2 and a molecular weight of 351.98 g/mol. Its IUPAC name is 3,5-dibromo-1-[(2,5-difluorophenyl)methyl]pyrazole.

Molecular Properties

Compound Name3,5-dibromo-1-[(2,5-difluorophenyl)methyl]pyrazole
PubChem CID114692696
Molecular FormulaC10H6Br2F2N2
Molecular Weight351.98 g/mol
Exact Mass349.89
IUPAC Name3,5-dibromo-1-[(2,5-difluorophenyl)methyl]pyrazole
SMILESFc1ccc(F)c(Cn2nc(Br)cc2Br)c1
InChIInChI=1S/C10H6Br2F2N2/c11-9-4-10(12)16(15-9)5-6-3-7(13)1-2-8(6)14/h1-4H,5H2
InChIKeyASMXTELMCRAOPH-UHFFFAOYSA-N
XLogP3.73
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.98
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-1-[(2,5-difluorophenyl)methyl]-3,5-dimethylpyrazole
CID 62128749
3,5-dibromo-1-[(2-bromophenyl)methyl]pyrazole
CID 114692670
3,5-dibromo-1-[(5-bromo-2-methoxyphenyl)methyl]pyrazole
CID 114692719
1-[(2,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxamide
CID 90351323
2-[(2,5-difluorophenyl)methyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one
CID 103217946
3,5-dibromo-1-[(4-bromo-2-nitrophenyl)methyl]pyrazole
CID 114692795
5-bromo-2-(chloromethyl)-1-[(2,5-difluorophenyl)methyl]benzimidazole
CID 63795004
1-[1-[(2,5-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine
CID 62731555
5-bromo-2-[(2,5-difluorophenyl)methyl]-1,3-dihydroisoindole
CID 171369204
3,5-dibromo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
CID 114692714
2-[(2,5-difluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218479
1-[(2-bromo-5-fluorophenyl)methyl]-5-methylpyrazol-3-amine
CID 51000352

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-1-[(2,5-difluorophenyl)methyl]pyrazole?
The IUPAC name of 3,5-dibromo-1-[(2,5-difluorophenyl)methyl]pyrazole (CID 114692696) is 3,5-dibromo-1-[(2,5-difluorophenyl)methyl]pyrazole.
What is the SMILES notation for 3,5-dibromo-1-[(2,5-difluorophenyl)methyl]pyrazole?
The canonical SMILES for 3,5-dibromo-1-[(2,5-difluorophenyl)methyl]pyrazole is Fc1ccc(F)c(Cn2nc(Br)cc2Br)c1.
What is the InChIKey of 3,5-dibromo-1-[(2,5-difluorophenyl)methyl]pyrazole?
The InChIKey is ASMXTELMCRAOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2F2N2/c11-9-4-10(12)16(15-9)5-6-3-7(13)1-2-8(6)14/h1-4H,5H2.
What are the key properties of 3,5-dibromo-1-[(2,5-difluorophenyl)methyl]pyrazole?
3,5-dibromo-1-[(2,5-difluorophenyl)methyl]pyrazole has a molecular weight of 351.98 g/mol, XLogP of 3.73, 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-[(2,5-difluorophenyl)methyl]pyrazole is sourced from PubChem (CID 114692696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).