4-bromo-5-(2,2-difluoroethoxy)-1-ethylpyrazole

C7H9BrF2N2O — CID 151256853

IUPAC4-bromo-5-(2,2-difluoroethoxy)-1-ethylpyrazole
SMILESCCn1ncc(Br)c1OCC(F)F
InChIInChI=1S/C7H9BrF2N2O/c1-2-12-7(5(8)3-11-12)13-4-6(9)10/h3,6H,2,4H2,1H3
InChIKeyNTMUCJNQHGJFGP-UHFFFAOYSA-N
MW255.06 g/mol
LogP2.31
Rot. Bonds4

About 4-bromo-5-(2,2-difluoroethoxy)-1-ethylpyrazole

4-bromo-5-(2,2-difluoroethoxy)-1-ethylpyrazole (PubChem CID 151256853) has the molecular formula C7H9BrF2N2O and a molecular weight of 255.06 g/mol. Its IUPAC name is 4-bromo-5-(2,2-difluoroethoxy)-1-ethylpyrazole.

Molecular Properties

Compound Name4-bromo-5-(2,2-difluoroethoxy)-1-ethylpyrazole
PubChem CID151256853
Molecular FormulaC7H9BrF2N2O
Molecular Weight255.06 g/mol
Exact Mass253.99
IUPAC Name4-bromo-5-(2,2-difluoroethoxy)-1-ethylpyrazole
SMILESCCn1ncc(Br)c1OCC(F)F
InChIInChI=1S/C7H9BrF2N2O/c1-2-12-7(5(8)3-11-12)13-4-6(9)10/h3,6H,2,4H2,1H3
InChIKeyNTMUCJNQHGJFGP-UHFFFAOYSA-N
XLogP2.31
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.06
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-bromo-5-(2,2-difluoroethoxy)-1-ethylpyrazole with MolForge

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

Launch Full Analysis

Related Compounds

3-(4-bromo-1-ethylpyrazol-5-yl)oxy-2,2-dimethylpropan-1-ol
CID 114637265
4-bromo-1,5-diethylpyrazole
CID 66959053
1-(4-bromo-1-ethylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105127584
2-(4-bromo-5-ethoxypyrazol-1-yl)-N,N-dimethylethanamine
CID 170946236
(4-bromo-1-ethylpyrazol-5-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 105039998
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475129
4-bromo-1-ethyl-5-propylpyrazole
CID 105470593
N-[1-(4-bromo-1-ethylpyrazol-5-yl)-2,2-difluoroethyl]propan-1-amine
CID 103517116
4-bromo-1-(2,2-difluoroethyl)-5-(propoxymethyl)pyrazole
CID 122171070
5-bromo-4-(2,2-difluoroethoxy)-N-methylpyrimidin-2-amine
CID 82009346
3-bromo-5-(2,2-difluoroethoxy)-2-methylpyridine
CID 163242204
4,5-dibromo-2-ethylpyridazin-3-one
CID 10660506

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(2,2-difluoroethoxy)-1-ethylpyrazole?
The IUPAC name of 4-bromo-5-(2,2-difluoroethoxy)-1-ethylpyrazole (CID 151256853) is 4-bromo-5-(2,2-difluoroethoxy)-1-ethylpyrazole.
What is the SMILES notation for 4-bromo-5-(2,2-difluoroethoxy)-1-ethylpyrazole?
The canonical SMILES for 4-bromo-5-(2,2-difluoroethoxy)-1-ethylpyrazole is CCn1ncc(Br)c1OCC(F)F.
What is the InChIKey of 4-bromo-5-(2,2-difluoroethoxy)-1-ethylpyrazole?
The InChIKey is NTMUCJNQHGJFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrF2N2O/c1-2-12-7(5(8)3-11-12)13-4-6(9)10/h3,6H,2,4H2,1H3.
What are the key properties of 4-bromo-5-(2,2-difluoroethoxy)-1-ethylpyrazole?
4-bromo-5-(2,2-difluoroethoxy)-1-ethylpyrazole has a molecular weight of 255.06 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(2,2-difluoroethoxy)-1-ethylpyrazole is sourced from PubChem (CID 151256853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).