3-(4-bromo-2-fluorophenyl)-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propan-1-one

C16H16BrFN2O — CID 147735128

IUPAC3-(4-bromo-2-fluorophenyl)-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propan-1-one
SMILESO=C(CCc1ccc(Br)cc1F)c1cc2n(n1)CCCC2
InChIInChI=1S/C16H16BrFN2O/c17-12-6-4-11(14(18)9-12)5-7-16(21)15-10-13-3-1-2-8-20(13)19-15/h4,6,9-10H,1-3,5,7-8H2
InChIKeyGZFDGZOWNDDNJU-UHFFFAOYSA-N
MW351.22 g/mol
LogP3.94
Rot. Bonds4

About 3-(4-bromo-2-fluorophenyl)-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propan-1-one

3-(4-bromo-2-fluorophenyl)-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propan-1-one (PubChem CID 147735128) has the molecular formula C16H16BrFN2O and a molecular weight of 351.22 g/mol. Its IUPAC name is 3-(4-bromo-2-fluorophenyl)-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-bromo-2-fluorophenyl)-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propan-1-one
PubChem CID147735128
Molecular FormulaC16H16BrFN2O
Molecular Weight351.22 g/mol
Exact Mass350.04
IUPAC Name3-(4-bromo-2-fluorophenyl)-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propan-1-one
SMILESO=C(CCc1ccc(Br)cc1F)c1cc2n(n1)CCCC2
InChIInChI=1S/C16H16BrFN2O/c17-12-6-4-11(14(18)9-12)5-7-16(21)15-10-13-3-1-2-8-20(13)19-15/h4,6,9-10H,1-3,5,7-8H2
InChIKeyGZFDGZOWNDDNJU-UHFFFAOYSA-N
XLogP3.94
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-fluorophenyl)-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propan-1-one?
The IUPAC name of 3-(4-bromo-2-fluorophenyl)-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propan-1-one (CID 147735128) is 3-(4-bromo-2-fluorophenyl)-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propan-1-one.
What is the SMILES notation for 3-(4-bromo-2-fluorophenyl)-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propan-1-one?
The canonical SMILES for 3-(4-bromo-2-fluorophenyl)-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propan-1-one is O=C(CCc1ccc(Br)cc1F)c1cc2n(n1)CCCC2.
What is the InChIKey of 3-(4-bromo-2-fluorophenyl)-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propan-1-one?
The InChIKey is GZFDGZOWNDDNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O/c17-12-6-4-11(14(18)9-12)5-7-16(21)15-10-13-3-1-2-8-20(13)19-15/h4,6,9-10H,1-3,5,7-8H2.
What are the key properties of 3-(4-bromo-2-fluorophenyl)-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propan-1-one?
3-(4-bromo-2-fluorophenyl)-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propan-1-one has a molecular weight of 351.22 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-fluorophenyl)-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propan-1-one is sourced from PubChem (CID 147735128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).