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

C14H15F2N3O — CID 138472407

IUPAC1-[[2-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one
SMILESO=c1[nH]n(Cc2ccccc2C(F)F)c2c1CNCC2
InChIInChI=1S/C14H15F2N3O/c15-13(16)10-4-2-1-3-9(10)8-19-12-5-6-17-7-11(12)14(20)18-19/h1-4,13,17H,5-8H2,(H,18,20)
InChIKeyOMBRMTITXRGCOA-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.81
Rot. Bonds3

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

1-[[2-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one (PubChem CID 138472407) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 1-[[2-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name1-[[2-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one
PubChem CID138472407
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name1-[[2-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one
SMILESO=c1[nH]n(Cc2ccccc2C(F)F)c2c1CNCC2
InChIInChI=1S/C14H15F2N3O/c15-13(16)10-4-2-1-3-9(10)8-19-12-5-6-17-7-11(12)14(20)18-19/h1-4,13,17H,5-8H2,(H,18,20)
InChIKeyOMBRMTITXRGCOA-UHFFFAOYSA-N
XLogP1.81
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 1-[[2-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one (CID 138472407) is 1-[[2-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 1-[[2-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 1-[[2-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one is O=c1[nH]n(Cc2ccccc2C(F)F)c2c1CNCC2.
What is the InChIKey of 1-[[2-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one?
The InChIKey is OMBRMTITXRGCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c15-13(16)10-4-2-1-3-9(10)8-19-12-5-6-17-7-11(12)14(20)18-19/h1-4,13,17H,5-8H2,(H,18,20).
What are the key properties of 1-[[2-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one?
1-[[2-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one has a molecular weight of 279.29 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 138472407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).