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

C20H19N3O — CID 7694329

IUPAC2-phenyl-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
SMILESO=C(Cc1ccccc1)N1CCc2[nH]nc(-c3ccccc3)c2C1
InChIInChI=1S/C20H19N3O/c24-19(13-15-7-3-1-4-8-15)23-12-11-18-17(14-23)20(22-21-18)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,21,22)
InChIKeyYLKHKAVDADBPSR-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.20
Rot. Bonds3

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

2-phenyl-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone (PubChem CID 7694329) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-phenyl-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-phenyl-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
PubChem CID7694329
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name2-phenyl-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
SMILESO=C(Cc1ccccc1)N1CCc2[nH]nc(-c3ccccc3)c2C1
InChIInChI=1S/C20H19N3O/c24-19(13-15-7-3-1-4-8-15)23-12-11-18-17(14-23)20(22-21-18)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,21,22)
InChIKeyYLKHKAVDADBPSR-UHFFFAOYSA-N
XLogP3.20
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-phenyl-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone (CID 7694329) is 2-phenyl-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-phenyl-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-phenyl-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone is O=C(Cc1ccccc1)N1CCc2[nH]nc(-c3ccccc3)c2C1.
What is the InChIKey of 2-phenyl-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
The InChIKey is YLKHKAVDADBPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c24-19(13-15-7-3-1-4-8-15)23-12-11-18-17(14-23)20(22-21-18)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,21,22).
What are the key properties of 2-phenyl-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
2-phenyl-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone has a molecular weight of 317.39 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 7694329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).