3-[3-(hydroxymethyl)phenyl]-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one

C19H17N3O2 — CID 134810341

IUPAC3-[3-(hydroxymethyl)phenyl]-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESO=C1Cc2c(-c3cccc(CO)c3)n[nH]c2CN1c1ccccc1
InChIInChI=1S/C19H17N3O2/c23-12-13-5-4-6-14(9-13)19-16-10-18(24)22(11-17(16)20-21-19)15-7-2-1-3-8-15/h1-9,23H,10-12H2,(H,20,21)
InChIKeyXVDOCGFDBNWNQH-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.66
Rot. Bonds3

About 3-[3-(hydroxymethyl)phenyl]-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one

3-[3-(hydroxymethyl)phenyl]-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (PubChem CID 134810341) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)phenyl]-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)phenyl]-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
PubChem CID134810341
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name3-[3-(hydroxymethyl)phenyl]-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESO=C1Cc2c(-c3cccc(CO)c3)n[nH]c2CN1c1ccccc1
InChIInChI=1S/C19H17N3O2/c23-12-13-5-4-6-14(9-13)19-16-10-18(24)22(11-17(16)20-21-19)15-7-2-1-3-8-15/h1-9,23H,10-12H2,(H,20,21)
InChIKeyXVDOCGFDBNWNQH-UHFFFAOYSA-N
XLogP2.66
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydroxymethyl)phenyl]-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The IUPAC name of 3-[3-(hydroxymethyl)phenyl]-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (CID 134810341) is 3-[3-(hydroxymethyl)phenyl]-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.
What is the SMILES notation for 3-[3-(hydroxymethyl)phenyl]-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The canonical SMILES for 3-[3-(hydroxymethyl)phenyl]-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is O=C1Cc2c(-c3cccc(CO)c3)n[nH]c2CN1c1ccccc1.
What is the InChIKey of 3-[3-(hydroxymethyl)phenyl]-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The InChIKey is XVDOCGFDBNWNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-12-13-5-4-6-14(9-13)19-16-10-18(24)22(11-17(16)20-21-19)15-7-2-1-3-8-15/h1-9,23H,10-12H2,(H,20,21).
What are the key properties of 3-[3-(hydroxymethyl)phenyl]-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
3-[3-(hydroxymethyl)phenyl]-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one has a molecular weight of 319.36 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxymethyl)phenyl]-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is sourced from PubChem (CID 134810341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).