4-bromo-5-(2,2-difluoropropoxy)-1H-pyrazole

C6H7BrF2N2O — CID 164885796

IUPAC4-bromo-5-(2,2-difluoropropoxy)-1H-pyrazole
SMILESCC(F)(F)COc1[nH]ncc1Br
InChIInChI=1S/C6H7BrF2N2O/c1-6(8,9)3-12-5-4(7)2-10-11-5/h2H,3H2,1H3,(H,10,11)
InChIKeyWRDDVEPZHYVTOU-UHFFFAOYSA-N
MW241.03 g/mol
LogP2.21
Rot. Bonds3

About 4-bromo-5-(2,2-difluoropropoxy)-1H-pyrazole

4-bromo-5-(2,2-difluoropropoxy)-1H-pyrazole (PubChem CID 164885796) has the molecular formula C6H7BrF2N2O and a molecular weight of 241.03 g/mol. Its IUPAC name is 4-bromo-5-(2,2-difluoropropoxy)-1H-pyrazole.

Molecular Properties

Compound Name4-bromo-5-(2,2-difluoropropoxy)-1H-pyrazole
PubChem CID164885796
Molecular FormulaC6H7BrF2N2O
Molecular Weight241.03 g/mol
Exact Mass239.97
IUPAC Name4-bromo-5-(2,2-difluoropropoxy)-1H-pyrazole
SMILESCC(F)(F)COc1[nH]ncc1Br
InChIInChI=1S/C6H7BrF2N2O/c1-6(8,9)3-12-5-4(7)2-10-11-5/h2H,3H2,1H3,(H,10,11)
InChIKeyWRDDVEPZHYVTOU-UHFFFAOYSA-N
XLogP2.21
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.03
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-5-(2,2-difluoropropoxy)-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(2,2-difluoropropoxy)-1H-pyrazole?
The IUPAC name of 4-bromo-5-(2,2-difluoropropoxy)-1H-pyrazole (CID 164885796) is 4-bromo-5-(2,2-difluoropropoxy)-1H-pyrazole.
What is the SMILES notation for 4-bromo-5-(2,2-difluoropropoxy)-1H-pyrazole?
The canonical SMILES for 4-bromo-5-(2,2-difluoropropoxy)-1H-pyrazole is CC(F)(F)COc1[nH]ncc1Br.
What is the InChIKey of 4-bromo-5-(2,2-difluoropropoxy)-1H-pyrazole?
The InChIKey is WRDDVEPZHYVTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrF2N2O/c1-6(8,9)3-12-5-4(7)2-10-11-5/h2H,3H2,1H3,(H,10,11).
What are the key properties of 4-bromo-5-(2,2-difluoropropoxy)-1H-pyrazole?
4-bromo-5-(2,2-difluoropropoxy)-1H-pyrazole has a molecular weight of 241.03 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(2,2-difluoropropoxy)-1H-pyrazole is sourced from PubChem (CID 164885796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).