2-[[2-(3-bromo-2-pyridinyl)pyrazol-3-yl]methyl]-5-fluoro-3-propylpyridine

C17H16BrFN4 — CID 59646843

IUPAC2-[[2-(3-bromo-2-pyridinyl)pyrazol-3-yl]methyl]-5-fluoro-3-propylpyridine
SMILESCCCc1cc(F)cnc1Cc1ccnn1-c1ncccc1Br
InChIInChI=1S/C17H16BrFN4/c1-2-4-12-9-13(19)11-21-16(12)10-14-6-8-22-23(14)17-15(18)5-3-7-20-17/h3,5-9,11H,2,4,10H2,1H3
InChIKeyYBJBYOLDYWKGGU-UHFFFAOYSA-N
MW375.25 g/mol
LogP4.11
Rot. Bonds5

About 2-[[2-(3-bromo-2-pyridinyl)pyrazol-3-yl]methyl]-5-fluoro-3-propylpyridine

2-[[2-(3-bromo-2-pyridinyl)pyrazol-3-yl]methyl]-5-fluoro-3-propylpyridine (PubChem CID 59646843) has the molecular formula C17H16BrFN4 and a molecular weight of 375.25 g/mol. Its IUPAC name is 2-[[2-(3-bromo-2-pyridinyl)pyrazol-3-yl]methyl]-5-fluoro-3-propylpyridine.

Molecular Properties

Compound Name2-[[2-(3-bromo-2-pyridinyl)pyrazol-3-yl]methyl]-5-fluoro-3-propylpyridine
PubChem CID59646843
Molecular FormulaC17H16BrFN4
Molecular Weight375.25 g/mol
Exact Mass374.05
IUPAC Name2-[[2-(3-bromo-2-pyridinyl)pyrazol-3-yl]methyl]-5-fluoro-3-propylpyridine
SMILESCCCc1cc(F)cnc1Cc1ccnn1-c1ncccc1Br
InChIInChI=1S/C17H16BrFN4/c1-2-4-12-9-13(19)11-21-16(12)10-14-6-8-22-23(14)17-15(18)5-3-7-20-17/h3,5-9,11H,2,4,10H2,1H3
InChIKeyYBJBYOLDYWKGGU-UHFFFAOYSA-N
XLogP4.11
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.25
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-bromo-2-pyridinyl)pyrazol-3-yl]methyl]-5-fluoro-3-propylpyridine?
The IUPAC name of 2-[[2-(3-bromo-2-pyridinyl)pyrazol-3-yl]methyl]-5-fluoro-3-propylpyridine (CID 59646843) is 2-[[2-(3-bromo-2-pyridinyl)pyrazol-3-yl]methyl]-5-fluoro-3-propylpyridine.
What is the SMILES notation for 2-[[2-(3-bromo-2-pyridinyl)pyrazol-3-yl]methyl]-5-fluoro-3-propylpyridine?
The canonical SMILES for 2-[[2-(3-bromo-2-pyridinyl)pyrazol-3-yl]methyl]-5-fluoro-3-propylpyridine is CCCc1cc(F)cnc1Cc1ccnn1-c1ncccc1Br.
What is the InChIKey of 2-[[2-(3-bromo-2-pyridinyl)pyrazol-3-yl]methyl]-5-fluoro-3-propylpyridine?
The InChIKey is YBJBYOLDYWKGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN4/c1-2-4-12-9-13(19)11-21-16(12)10-14-6-8-22-23(14)17-15(18)5-3-7-20-17/h3,5-9,11H,2,4,10H2,1H3.
What are the key properties of 2-[[2-(3-bromo-2-pyridinyl)pyrazol-3-yl]methyl]-5-fluoro-3-propylpyridine?
2-[[2-(3-bromo-2-pyridinyl)pyrazol-3-yl]methyl]-5-fluoro-3-propylpyridine has a molecular weight of 375.25 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-bromo-2-pyridinyl)pyrazol-3-yl]methyl]-5-fluoro-3-propylpyridine is sourced from PubChem (CID 59646843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).