4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazole

C5H5BrF2N2 — CID 66887155

IUPAC4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazole
SMILESCc1[nH]nc(C(F)F)c1Br
InChIInChI=1S/C5H5BrF2N2/c1-2-3(6)4(5(7)8)10-9-2/h5H,1H3,(H,9,10)
InChIKeyDIAYWTHWZYXYNQ-UHFFFAOYSA-N
MW211.01 g/mol
LogP2.42
Rot. Bonds1

About 4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazole

4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazole (PubChem CID 66887155) has the molecular formula C5H5BrF2N2 and a molecular weight of 211.01 g/mol. Its IUPAC name is 4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazole
PubChem CID66887155
Molecular FormulaC5H5BrF2N2
Molecular Weight211.01 g/mol
Exact Mass209.96
IUPAC Name4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazole
SMILESCc1[nH]nc(C(F)F)c1Br
InChIInChI=1S/C5H5BrF2N2/c1-2-3(6)4(5(7)8)10-9-2/h5H,1H3,(H,9,10)
InChIKeyDIAYWTHWZYXYNQ-UHFFFAOYSA-N
XLogP2.42
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.01
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazole?
The IUPAC name of 4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazole (CID 66887155) is 4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazole.
What is the SMILES notation for 4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazole?
The canonical SMILES for 4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazole is Cc1[nH]nc(C(F)F)c1Br.
What is the InChIKey of 4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazole?
The InChIKey is DIAYWTHWZYXYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrF2N2/c1-2-3(6)4(5(7)8)10-9-2/h5H,1H3,(H,9,10).
What are the key properties of 4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazole?
4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazole has a molecular weight of 211.01 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazole is sourced from PubChem (CID 66887155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).