2,5-dibenzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one

C20H21N3O — CID 53357547

IUPAC2,5-dibenzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
SMILESO=c1c2c([nH]n1Cc1ccccc1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C20H21N3O/c24-20-18-15-22(13-16-7-3-1-4-8-16)12-11-19(18)21-23(20)14-17-9-5-2-6-10-17/h1-10,21H,11-15H2
InChIKeyKMPMTELUDJZGLM-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.78
Rot. Bonds4

About 2,5-dibenzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one

2,5-dibenzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one (PubChem CID 53357547) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2,5-dibenzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name2,5-dibenzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
PubChem CID53357547
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2,5-dibenzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
SMILESO=c1c2c([nH]n1Cc1ccccc1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C20H21N3O/c24-20-18-15-22(13-16-7-3-1-4-8-16)12-11-19(18)21-23(20)14-17-9-5-2-6-10-17/h1-10,21H,11-15H2
InChIKeyKMPMTELUDJZGLM-UHFFFAOYSA-N
XLogP2.78
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibenzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 2,5-dibenzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one (CID 53357547) is 2,5-dibenzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 2,5-dibenzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 2,5-dibenzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one is O=c1c2c([nH]n1Cc1ccccc1)CCN(Cc1ccccc1)C2.
What is the InChIKey of 2,5-dibenzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
The InChIKey is KMPMTELUDJZGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c24-20-18-15-22(13-16-7-3-1-4-8-16)12-11-19(18)21-23(20)14-17-9-5-2-6-10-17/h1-10,21H,11-15H2.
What are the key properties of 2,5-dibenzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
2,5-dibenzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one has a molecular weight of 319.41 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibenzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 53357547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).