4-(bromomethyl)-1-(2,4-difluorophenyl)-5-methylpyrazole

C11H9BrF2N2 — CID 66439230

IUPAC4-(bromomethyl)-1-(2,4-difluorophenyl)-5-methylpyrazole
SMILESCc1c(CBr)cnn1-c1ccc(F)cc1F
InChIInChI=1S/C11H9BrF2N2/c1-7-8(5-12)6-15-16(7)11-3-2-9(13)4-10(11)14/h2-4,6H,5H2,1H3
InChIKeyKSCWIGIVJYCNGY-UHFFFAOYSA-N
MW287.11 g/mol
LogP3.35
Rot. Bonds2

About 4-(bromomethyl)-1-(2,4-difluorophenyl)-5-methylpyrazole

4-(bromomethyl)-1-(2,4-difluorophenyl)-5-methylpyrazole (PubChem CID 66439230) has the molecular formula C11H9BrF2N2 and a molecular weight of 287.11 g/mol. Its IUPAC name is 4-(bromomethyl)-1-(2,4-difluorophenyl)-5-methylpyrazole.

Molecular Properties

Compound Name4-(bromomethyl)-1-(2,4-difluorophenyl)-5-methylpyrazole
PubChem CID66439230
Molecular FormulaC11H9BrF2N2
Molecular Weight287.11 g/mol
Exact Mass285.99
IUPAC Name4-(bromomethyl)-1-(2,4-difluorophenyl)-5-methylpyrazole
SMILESCc1c(CBr)cnn1-c1ccc(F)cc1F
InChIInChI=1S/C11H9BrF2N2/c1-7-8(5-12)6-15-16(7)11-3-2-9(13)4-10(11)14/h2-4,6H,5H2,1H3
InChIKeyKSCWIGIVJYCNGY-UHFFFAOYSA-N
XLogP3.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[1-(2,4-difluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanol
CID 66436355
4-(bromomethyl)-1-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)pyrazole
CID 66439477
N-[[1-(2,4-difluorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine
CID 66439849
N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]oxan-4-amine
CID 45167612
N-[(1R)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]cyclopentanamine
CID 25450844
N-[[1-(2,4-difluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine
CID 66441867
N-[[1-(4-fluoro-2-methylphenyl)-5-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 63866539
4-[[[(1R)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]methyl]-2,6-dimethylphenol
CID 25477171
(1R)-N-[(4-chloro-3-fluorophenyl)methyl]-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 25480018
4-(chloromethyl)-5-cyclopropyl-1-(2,4-difluorophenyl)pyrazole
CID 66439229
N-[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(5-methylpyrazol-1-yl)acetamide
CID 97130620
N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]cyclohexanamine
CID 45208565

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-(2,4-difluorophenyl)-5-methylpyrazole?
The IUPAC name of 4-(bromomethyl)-1-(2,4-difluorophenyl)-5-methylpyrazole (CID 66439230) is 4-(bromomethyl)-1-(2,4-difluorophenyl)-5-methylpyrazole.
What is the SMILES notation for 4-(bromomethyl)-1-(2,4-difluorophenyl)-5-methylpyrazole?
The canonical SMILES for 4-(bromomethyl)-1-(2,4-difluorophenyl)-5-methylpyrazole is Cc1c(CBr)cnn1-c1ccc(F)cc1F.
What is the InChIKey of 4-(bromomethyl)-1-(2,4-difluorophenyl)-5-methylpyrazole?
The InChIKey is KSCWIGIVJYCNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF2N2/c1-7-8(5-12)6-15-16(7)11-3-2-9(13)4-10(11)14/h2-4,6H,5H2,1H3.
What are the key properties of 4-(bromomethyl)-1-(2,4-difluorophenyl)-5-methylpyrazole?
4-(bromomethyl)-1-(2,4-difluorophenyl)-5-methylpyrazole has a molecular weight of 287.11 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-(2,4-difluorophenyl)-5-methylpyrazole is sourced from PubChem (CID 66439230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).