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

C5H5BrF2N2 — CID 51000270

IUPAC4-bromo-1-(difluoromethyl)-5-methylpyrazole
SMILESCc1c(Br)cnn1C(F)F
InChIInChI=1S/C5H5BrF2N2/c1-3-4(6)2-9-10(3)5(7)8/h2,5H,1H3
InChIKeySJHCIVMPLSTCOK-UHFFFAOYSA-N
MW211.01 g/mol
LogP2.35
Rot. Bonds1

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

4-bromo-1-(difluoromethyl)-5-methylpyrazole (PubChem CID 51000270) has the molecular formula C5H5BrF2N2 and a molecular weight of 211.01 g/mol. Its IUPAC name is 4-bromo-1-(difluoromethyl)-5-methylpyrazole.

Molecular Properties

Compound Name4-bromo-1-(difluoromethyl)-5-methylpyrazole
PubChem CID51000270
Molecular FormulaC5H5BrF2N2
Molecular Weight211.01 g/mol
Exact Mass209.96
IUPAC Name4-bromo-1-(difluoromethyl)-5-methylpyrazole
SMILESCc1c(Br)cnn1C(F)F
InChIInChI=1S/C5H5BrF2N2/c1-3-4(6)2-9-10(3)5(7)8/h2,5H,1H3
InChIKeySJHCIVMPLSTCOK-UHFFFAOYSA-N
XLogP2.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.01
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(difluoromethyl)-5-methylpyrazole?
The IUPAC name of 4-bromo-1-(difluoromethyl)-5-methylpyrazole (CID 51000270) is 4-bromo-1-(difluoromethyl)-5-methylpyrazole.
What is the SMILES notation for 4-bromo-1-(difluoromethyl)-5-methylpyrazole?
The canonical SMILES for 4-bromo-1-(difluoromethyl)-5-methylpyrazole is Cc1c(Br)cnn1C(F)F.
What is the InChIKey of 4-bromo-1-(difluoromethyl)-5-methylpyrazole?
The InChIKey is SJHCIVMPLSTCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrF2N2/c1-3-4(6)2-9-10(3)5(7)8/h2,5H,1H3.
What are the key properties of 4-bromo-1-(difluoromethyl)-5-methylpyrazole?
4-bromo-1-(difluoromethyl)-5-methylpyrazole has a molecular weight of 211.01 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(difluoromethyl)-5-methylpyrazole is sourced from PubChem (CID 51000270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).