3-bromo-5-(difluoromethyl)-1-methylpyrazole;ethane

C7H11BrF2N2 — CID 177333527

IUPAC3-bromo-5-(difluoromethyl)-1-methylpyrazole;ethane
SMILESCC.Cn1nc(Br)cc1C(F)F
InChIInChI=1S/C5H5BrF2N2.C2H6/c1-10-3(5(7)8)2-4(6)9-10;1-2/h2,5H,1H3;1-2H3
InChIKeyOKKQGUJPFCVONM-UHFFFAOYSA-N
MW241.08 g/mol
LogP3.15
Rot. Bonds1

About 3-bromo-5-(difluoromethyl)-1-methylpyrazole;ethane

3-bromo-5-(difluoromethyl)-1-methylpyrazole;ethane (PubChem CID 177333527) has the molecular formula C7H11BrF2N2 and a molecular weight of 241.08 g/mol. Its IUPAC name is 3-bromo-5-(difluoromethyl)-1-methylpyrazole;ethane.

Molecular Properties

Compound Name3-bromo-5-(difluoromethyl)-1-methylpyrazole;ethane
PubChem CID177333527
Molecular FormulaC7H11BrF2N2
Molecular Weight241.08 g/mol
Exact Mass240.01
IUPAC Name3-bromo-5-(difluoromethyl)-1-methylpyrazole;ethane
SMILESCC.Cn1nc(Br)cc1C(F)F
InChIInChI=1S/C5H5BrF2N2.C2H6/c1-10-3(5(7)8)2-4(6)9-10;1-2/h2,5H,1H3;1-2H3
InChIKeyOKKQGUJPFCVONM-UHFFFAOYSA-N
XLogP3.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(difluoromethyl)-1-methylpyrazole;ethane?
The IUPAC name of 3-bromo-5-(difluoromethyl)-1-methylpyrazole;ethane (CID 177333527) is 3-bromo-5-(difluoromethyl)-1-methylpyrazole;ethane.
What is the SMILES notation for 3-bromo-5-(difluoromethyl)-1-methylpyrazole;ethane?
The canonical SMILES for 3-bromo-5-(difluoromethyl)-1-methylpyrazole;ethane is CC.Cn1nc(Br)cc1C(F)F.
What is the InChIKey of 3-bromo-5-(difluoromethyl)-1-methylpyrazole;ethane?
The InChIKey is OKKQGUJPFCVONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrF2N2.C2H6/c1-10-3(5(7)8)2-4(6)9-10;1-2/h2,5H,1H3;1-2H3.
What are the key properties of 3-bromo-5-(difluoromethyl)-1-methylpyrazole;ethane?
3-bromo-5-(difluoromethyl)-1-methylpyrazole;ethane has a molecular weight of 241.08 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(difluoromethyl)-1-methylpyrazole;ethane is sourced from PubChem (CID 177333527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).