2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-fluoro-3-pyridinyl)ethanone

C14H15BrFN3O — CID 105111691

IUPAC2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-fluoro-3-pyridinyl)ethanone
SMILESCCc1nn(CC)c(CC(=O)c2cncc(F)c2)c1Br
InChIInChI=1S/C14H15BrFN3O/c1-3-11-14(15)12(19(4-2)18-11)6-13(20)9-5-10(16)8-17-7-9/h5,7-8H,3-4,6H2,1-2H3
InChIKeyRPVOTFPMKHMWOZ-UHFFFAOYSA-N
MW340.20 g/mol
LogP3.19
Rot. Bonds5

About 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-fluoro-3-pyridinyl)ethanone

2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-fluoro-3-pyridinyl)ethanone (PubChem CID 105111691) has the molecular formula C14H15BrFN3O and a molecular weight of 340.20 g/mol. Its IUPAC name is 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-fluoro-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-fluoro-3-pyridinyl)ethanone
PubChem CID105111691
Molecular FormulaC14H15BrFN3O
Molecular Weight340.20 g/mol
Exact Mass339.04
IUPAC Name2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-fluoro-3-pyridinyl)ethanone
SMILESCCc1nn(CC)c(CC(=O)c2cncc(F)c2)c1Br
InChIInChI=1S/C14H15BrFN3O/c1-3-11-14(15)12(19(4-2)18-11)6-13(20)9-5-10(16)8-17-7-9/h5,7-8H,3-4,6H2,1-2H3
InChIKeyRPVOTFPMKHMWOZ-UHFFFAOYSA-N
XLogP3.19
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-fluoro-3-pyridinyl)ethanone?
The IUPAC name of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-fluoro-3-pyridinyl)ethanone (CID 105111691) is 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-fluoro-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-fluoro-3-pyridinyl)ethanone?
The canonical SMILES for 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-fluoro-3-pyridinyl)ethanone is CCc1nn(CC)c(CC(=O)c2cncc(F)c2)c1Br.
What is the InChIKey of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-fluoro-3-pyridinyl)ethanone?
The InChIKey is RPVOTFPMKHMWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3O/c1-3-11-14(15)12(19(4-2)18-11)6-13(20)9-5-10(16)8-17-7-9/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-fluoro-3-pyridinyl)ethanone?
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-fluoro-3-pyridinyl)ethanone has a molecular weight of 340.20 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-fluoro-3-pyridinyl)ethanone is sourced from PubChem (CID 105111691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).