3-bromo-1-methyl-5-(trifluoromethyl)pyrazole

C5H4BrF3N2 — CID 105486135

IUPAC3-bromo-1-methyl-5-(trifluoromethyl)pyrazole
SMILESCn1nc(Br)cc1C(F)(F)F
InChIInChI=1S/C5H4BrF3N2/c1-11-3(5(7,8)9)2-4(6)10-11/h2H,1H3
InChIKeyNMLUNESDTDDGSB-UHFFFAOYSA-N
MW229.00 g/mol
LogP2.20
Rot. Bonds

About 3-bromo-1-methyl-5-(trifluoromethyl)pyrazole

3-bromo-1-methyl-5-(trifluoromethyl)pyrazole (PubChem CID 105486135) has the molecular formula C5H4BrF3N2 and a molecular weight of 229.00 g/mol. Its IUPAC name is 3-bromo-1-methyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name3-bromo-1-methyl-5-(trifluoromethyl)pyrazole
PubChem CID105486135
Molecular FormulaC5H4BrF3N2
Molecular Weight229.00 g/mol
Exact Mass227.95
IUPAC Name3-bromo-1-methyl-5-(trifluoromethyl)pyrazole
SMILESCn1nc(Br)cc1C(F)(F)F
InChIInChI=1S/C5H4BrF3N2/c1-11-3(5(7,8)9)2-4(6)10-11/h2H,1H3
InChIKeyNMLUNESDTDDGSB-UHFFFAOYSA-N
XLogP2.20
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.00
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-1-methyl-5-(trifluoromethyl)pyrazole
CID 59173012
2-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpropan-2-amine
CID 170730315
N,1-dimethyl-5-(trifluoromethyl)pyrazol-3-amine
CID 131121157
2-(3-bromo-1-methylpyrazol-5-yl)-N,N,2-trimethylpropanamide
CID 118690456
4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]aniline
CID 89018490
[1-methyl-5-(trifluoromethyl)pyrazol-3-yl] formate
CID 143747958
5-[4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-1,2-oxazole
CID 69395912
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbaldehyde
CID 2775667
2-[[3-bromo-5-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 177304121
N-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-amine
CID 105477120
1-methyl-3-(5-methylsulfonylthiophen-2-yl)-5-(trifluoromethyl)pyrazole
CID 21349801
2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetic acid
CID 2801295

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 3-bromo-1-methyl-5-(trifluoromethyl)pyrazole (CID 105486135) is 3-bromo-1-methyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 3-bromo-1-methyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 3-bromo-1-methyl-5-(trifluoromethyl)pyrazole is Cn1nc(Br)cc1C(F)(F)F.
What is the InChIKey of 3-bromo-1-methyl-5-(trifluoromethyl)pyrazole?
The InChIKey is NMLUNESDTDDGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrF3N2/c1-11-3(5(7,8)9)2-4(6)10-11/h2H,1H3.
What are the key properties of 3-bromo-1-methyl-5-(trifluoromethyl)pyrazole?
3-bromo-1-methyl-5-(trifluoromethyl)pyrazole has a molecular weight of 229.00 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-methyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 105486135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).