4-bromo-5-(2,2-difluoroethoxymethyl)-1,3-diethylpyrazole

C10H15BrF2N2O — CID 82006084

IUPAC4-bromo-5-(2,2-difluoroethoxymethyl)-1,3-diethylpyrazole
SMILESCCc1nn(CC)c(COCC(F)F)c1Br
InChIInChI=1S/C10H15BrF2N2O/c1-3-7-10(11)8(15(4-2)14-7)5-16-6-9(12)13/h9H,3-6H2,1-2H3
InChIKeyYBVPZVOKKUJQQQ-UHFFFAOYSA-N
MW297.14 g/mol
LogP3.01
Rot. Bonds6

About 4-bromo-5-(2,2-difluoroethoxymethyl)-1,3-diethylpyrazole

4-bromo-5-(2,2-difluoroethoxymethyl)-1,3-diethylpyrazole (PubChem CID 82006084) has the molecular formula C10H15BrF2N2O and a molecular weight of 297.14 g/mol. Its IUPAC name is 4-bromo-5-(2,2-difluoroethoxymethyl)-1,3-diethylpyrazole.

Molecular Properties

Compound Name4-bromo-5-(2,2-difluoroethoxymethyl)-1,3-diethylpyrazole
PubChem CID82006084
Molecular FormulaC10H15BrF2N2O
Molecular Weight297.14 g/mol
Exact Mass296.03
IUPAC Name4-bromo-5-(2,2-difluoroethoxymethyl)-1,3-diethylpyrazole
SMILESCCc1nn(CC)c(COCC(F)F)c1Br
InChIInChI=1S/C10H15BrF2N2O/c1-3-7-10(11)8(15(4-2)14-7)5-16-6-9(12)13/h9H,3-6H2,1-2H3
InChIKeyYBVPZVOKKUJQQQ-UHFFFAOYSA-N
XLogP3.01
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(2,2-difluoroethoxymethyl)-1,3-diethylpyrazole?
The IUPAC name of 4-bromo-5-(2,2-difluoroethoxymethyl)-1,3-diethylpyrazole (CID 82006084) is 4-bromo-5-(2,2-difluoroethoxymethyl)-1,3-diethylpyrazole.
What is the SMILES notation for 4-bromo-5-(2,2-difluoroethoxymethyl)-1,3-diethylpyrazole?
The canonical SMILES for 4-bromo-5-(2,2-difluoroethoxymethyl)-1,3-diethylpyrazole is CCc1nn(CC)c(COCC(F)F)c1Br.
What is the InChIKey of 4-bromo-5-(2,2-difluoroethoxymethyl)-1,3-diethylpyrazole?
The InChIKey is YBVPZVOKKUJQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrF2N2O/c1-3-7-10(11)8(15(4-2)14-7)5-16-6-9(12)13/h9H,3-6H2,1-2H3.
What are the key properties of 4-bromo-5-(2,2-difluoroethoxymethyl)-1,3-diethylpyrazole?
4-bromo-5-(2,2-difluoroethoxymethyl)-1,3-diethylpyrazole has a molecular weight of 297.14 g/mol, XLogP of 3.01, 6 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-difluoroethoxymethyl)-1,3-diethylpyrazole is sourced from PubChem (CID 82006084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).