4-bromo-5-(fluoromethyl)-1-methylpyrazole

C5H6BrFN2 — CID 131598370

IUPAC4-bromo-5-(fluoromethyl)-1-methylpyrazole
SMILESCn1ncc(Br)c1CF
InChIInChI=1S/C5H6BrFN2/c1-9-5(2-7)4(6)3-8-9/h3H,2H2,1H3
InChIKeyUGMDMRXLQHXJAJ-UHFFFAOYSA-N
MW193.02 g/mol
LogP1.65
Rot. Bonds1

About 4-bromo-5-(fluoromethyl)-1-methylpyrazole

4-bromo-5-(fluoromethyl)-1-methylpyrazole (PubChem CID 131598370) has the molecular formula C5H6BrFN2 and a molecular weight of 193.02 g/mol. Its IUPAC name is 4-bromo-5-(fluoromethyl)-1-methylpyrazole.

Molecular Properties

Compound Name4-bromo-5-(fluoromethyl)-1-methylpyrazole
PubChem CID131598370
Molecular FormulaC5H6BrFN2
Molecular Weight193.02 g/mol
Exact Mass191.97
IUPAC Name4-bromo-5-(fluoromethyl)-1-methylpyrazole
SMILESCn1ncc(Br)c1CF
InChIInChI=1S/C5H6BrFN2/c1-9-5(2-7)4(6)3-8-9/h3H,2H2,1H3
InChIKeyUGMDMRXLQHXJAJ-UHFFFAOYSA-N
XLogP1.65
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.02
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 12615416
4-Bromo-1,5-dimethyl-1H-pyrazole
CID 12615417
4-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 2794651
1-Methyl-5-(trifluoromethyl)-1H-pyrazole
CID 15420922
4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazole
CID 11831205
3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propanenitrile
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4-bromo-1-methyl-1H-pyrazole-5-carbonitrile
CID 759273
4-bromo-1-ethyl-3-methyl-1H-pyrazole
CID 4105398
(4-bromo-1-methyl-1H-pyrazol-3-yl)methanamine
CID 19620698
4-bromo-3-(chloromethyl)-1-methyl-1H-pyrazole
CID 24229714
4-bromo-1-ethyl-5-methyl-1H-pyrazole
CID 25219331
4-Bromo-1-methyl-1H-pyrazole-3-carbonitrile
CID 45594322

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(fluoromethyl)-1-methylpyrazole?
The IUPAC name of 4-bromo-5-(fluoromethyl)-1-methylpyrazole (CID 131598370) is 4-bromo-5-(fluoromethyl)-1-methylpyrazole.
What is the SMILES notation for 4-bromo-5-(fluoromethyl)-1-methylpyrazole?
The canonical SMILES for 4-bromo-5-(fluoromethyl)-1-methylpyrazole is Cn1ncc(Br)c1CF.
What is the InChIKey of 4-bromo-5-(fluoromethyl)-1-methylpyrazole?
The InChIKey is UGMDMRXLQHXJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrFN2/c1-9-5(2-7)4(6)3-8-9/h3H,2H2,1H3.
What are the key properties of 4-bromo-5-(fluoromethyl)-1-methylpyrazole?
4-bromo-5-(fluoromethyl)-1-methylpyrazole has a molecular weight of 193.02 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(fluoromethyl)-1-methylpyrazole is sourced from PubChem (CID 131598370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).