4-bromo-3-fluoro-5-methyl-1H-pyrazole

C4H4BrFN2 — CID 14849318

IUPAC4-bromo-3-fluoro-5-methyl-1H-pyrazole
SMILESCc1[nH]nc(F)c1Br
InChIInChI=1S/C4H4BrFN2/c1-2-3(5)4(6)8-7-2/h1H3,(H,7,8)
InChIKeyIQPUPTYEQDYHOU-UHFFFAOYSA-N
MW178.99 g/mol
LogP1.62
Rot. Bonds

About 4-bromo-3-fluoro-5-methyl-1H-pyrazole

4-bromo-3-fluoro-5-methyl-1H-pyrazole (PubChem CID 14849318) has the molecular formula C4H4BrFN2 and a molecular weight of 178.99 g/mol. Its IUPAC name is 4-bromo-3-fluoro-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name4-bromo-3-fluoro-5-methyl-1H-pyrazole
PubChem CID14849318
Molecular FormulaC4H4BrFN2
Molecular Weight178.99 g/mol
Exact Mass177.95
IUPAC Name4-bromo-3-fluoro-5-methyl-1H-pyrazole
SMILESCc1[nH]nc(F)c1Br
InChIInChI=1S/C4H4BrFN2/c1-2-3(5)4(6)8-7-2/h1H3,(H,7,8)
InChIKeyIQPUPTYEQDYHOU-UHFFFAOYSA-N
XLogP1.62
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.99
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-3,5-dimethyl-1H-pyrazole
CID 76937
3-Amino-4-bromo-5-methylpyrazole
CID 1241299
3,4-dibromo-5-methyl-1H-pyrazole
CID 4575242
5-Amino-4-bromo-3-methylpyrazole hydrobromide
CID 2778427
4-Bromo-3-methyl-5-(trifluoromethyl)pyrazole
CID 2736430
5-bromo-3-methyl-4-(trifluoromethyl)-1H-pyrazole
CID 125448910
4-Bromo-3-chloro-5-methyl-1H-pyrazole
CID 14849317
4-bromo-3,5-bis(difluoromethyl)-1H-pyrazole
CID 7172340
3,4-difluoro-5-methyl-1H-pyrazole
CID 14849321
3-fluoro-4,5-dimethyl-1H-pyrazole
CID 14849324
4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazole
CID 66887155
4-bromo-3-(fluoromethyl)-5-methyl-1H-pyrazole
CID 89046689

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-5-methyl-1H-pyrazole?
The IUPAC name of 4-bromo-3-fluoro-5-methyl-1H-pyrazole (CID 14849318) is 4-bromo-3-fluoro-5-methyl-1H-pyrazole.
What is the SMILES notation for 4-bromo-3-fluoro-5-methyl-1H-pyrazole?
The canonical SMILES for 4-bromo-3-fluoro-5-methyl-1H-pyrazole is Cc1[nH]nc(F)c1Br.
What is the InChIKey of 4-bromo-3-fluoro-5-methyl-1H-pyrazole?
The InChIKey is IQPUPTYEQDYHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrFN2/c1-2-3(5)4(6)8-7-2/h1H3,(H,7,8).
What are the key properties of 4-bromo-3-fluoro-5-methyl-1H-pyrazole?
4-bromo-3-fluoro-5-methyl-1H-pyrazole has a molecular weight of 178.99 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-5-methyl-1H-pyrazole is sourced from PubChem (CID 14849318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).