3-(4-fluorophenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one

C15H16FN3O2 — CID 86859680

IUPAC3-(4-fluorophenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one
SMILESO=C(CCOc1ccc(F)cc1)N1CCc2[nH]ncc2C1
InChIInChI=1S/C15H16FN3O2/c16-12-1-3-13(4-2-12)21-8-6-15(20)19-7-5-14-11(10-19)9-17-18-14/h1-4,9H,5-8,10H2,(H,17,18)
InChIKeyWJFBRQPITXMNSY-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.90
Rot. Bonds4

About 3-(4-fluorophenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one

3-(4-fluorophenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one (PubChem CID 86859680) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one
PubChem CID86859680
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name3-(4-fluorophenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one
SMILESO=C(CCOc1ccc(F)cc1)N1CCc2[nH]ncc2C1
InChIInChI=1S/C15H16FN3O2/c16-12-1-3-13(4-2-12)21-8-6-15(20)19-7-5-14-11(10-19)9-17-18-14/h1-4,9H,5-8,10H2,(H,17,18)
InChIKeyWJFBRQPITXMNSY-UHFFFAOYSA-N
XLogP1.90
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one?
The IUPAC name of 3-(4-fluorophenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one (CID 86859680) is 3-(4-fluorophenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one.
What is the SMILES notation for 3-(4-fluorophenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one?
The canonical SMILES for 3-(4-fluorophenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one is O=C(CCOc1ccc(F)cc1)N1CCc2[nH]ncc2C1.
What is the InChIKey of 3-(4-fluorophenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one?
The InChIKey is WJFBRQPITXMNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c16-12-1-3-13(4-2-12)21-8-6-15(20)19-7-5-14-11(10-19)9-17-18-14/h1-4,9H,5-8,10H2,(H,17,18).
What are the key properties of 3-(4-fluorophenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one?
3-(4-fluorophenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one has a molecular weight of 289.31 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one is sourced from PubChem (CID 86859680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).