1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one

C15H15F4N3O — CID 138471751

IUPAC1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one
SMILESCC(c1ccc(F)cc1C(F)(F)F)n1[nH]c(=O)c2c1CCNC2
InChIInChI=1S/C15H15F4N3O/c1-8(10-3-2-9(16)6-12(10)15(17,18)19)22-13-4-5-20-7-11(13)14(23)21-22/h2-3,6,8,20H,4-5,7H2,1H3,(H,21,23)
InChIKeyGOYLPWLQWJOWGT-UHFFFAOYSA-N
MW329.30 g/mol
LogP2.59
Rot. Bonds2

About 1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one

1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one (PubChem CID 138471751) has the molecular formula C15H15F4N3O and a molecular weight of 329.30 g/mol. Its IUPAC name is 1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one
PubChem CID138471751
Molecular FormulaC15H15F4N3O
Molecular Weight329.30 g/mol
Exact Mass329.12
IUPAC Name1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one
SMILESCC(c1ccc(F)cc1C(F)(F)F)n1[nH]c(=O)c2c1CCNC2
InChIInChI=1S/C15H15F4N3O/c1-8(10-3-2-9(16)6-12(10)15(17,18)19)22-13-4-5-20-7-11(13)14(23)21-22/h2-3,6,8,20H,4-5,7H2,1H3,(H,21,23)
InChIKeyGOYLPWLQWJOWGT-UHFFFAOYSA-N
XLogP2.59
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one (CID 138471751) is 1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one is CC(c1ccc(F)cc1C(F)(F)F)n1[nH]c(=O)c2c1CCNC2.
What is the InChIKey of 1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one?
The InChIKey is GOYLPWLQWJOWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4N3O/c1-8(10-3-2-9(16)6-12(10)15(17,18)19)22-13-4-5-20-7-11(13)14(23)21-22/h2-3,6,8,20H,4-5,7H2,1H3,(H,21,23).
What are the key properties of 1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one?
1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one has a molecular weight of 329.30 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 138471751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).