1-[3-(fluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone

C15H16FN3O2 — CID 121443388

IUPAC1-[3-(fluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCc2[nH]nc(CF)c2C1
InChIInChI=1S/C15H16FN3O2/c16-8-14-12-9-19(7-6-13(12)17-18-14)15(20)10-21-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,17,18)
InChIKeyUHYGNRPXIIKMBM-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.84
Rot. Bonds4

About 1-[3-(fluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone

1-[3-(fluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone (PubChem CID 121443388) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 1-[3-(fluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[3-(fluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone
PubChem CID121443388
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name1-[3-(fluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCc2[nH]nc(CF)c2C1
InChIInChI=1S/C15H16FN3O2/c16-8-14-12-9-19(7-6-13(12)17-18-14)15(20)10-21-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,17,18)
InChIKeyUHYGNRPXIIKMBM-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(fluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone?
The IUPAC name of 1-[3-(fluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone (CID 121443388) is 1-[3-(fluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[3-(fluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[3-(fluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone is O=C(COc1ccccc1)N1CCc2[nH]nc(CF)c2C1.
What is the InChIKey of 1-[3-(fluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone?
The InChIKey is UHYGNRPXIIKMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c16-8-14-12-9-19(7-6-13(12)17-18-14)15(20)10-21-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,17,18).
What are the key properties of 1-[3-(fluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone?
1-[3-(fluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone has a molecular weight of 289.31 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(fluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone is sourced from PubChem (CID 121443388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).