N-[2-oxo-2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethyl]acetamide

C16H18N4O2 — CID 53185457

IUPACN-[2-oxo-2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1
InChIInChI=1S/C16H18N4O2/c1-11(21)17-9-15(22)20-8-7-14-13(10-20)16(19-18-14)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,17,21)(H,18,19)
InChIKeyUZOLTEVRLZCRCJ-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.10
Rot. Bonds3

About N-[2-oxo-2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethyl]acetamide

N-[2-oxo-2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethyl]acetamide (PubChem CID 53185457) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[2-oxo-2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-oxo-2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethyl]acetamide
PubChem CID53185457
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-[2-oxo-2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1
InChIInChI=1S/C16H18N4O2/c1-11(21)17-9-15(22)20-8-7-14-13(10-20)16(19-18-14)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,17,21)(H,18,19)
InChIKeyUZOLTEVRLZCRCJ-UHFFFAOYSA-N
XLogP1.10
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethyl]acetamide?
The IUPAC name of N-[2-oxo-2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethyl]acetamide (CID 53185457) is N-[2-oxo-2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-oxo-2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethyl]acetamide?
The canonical SMILES for N-[2-oxo-2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethyl]acetamide is CC(=O)NCC(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1.
What is the InChIKey of N-[2-oxo-2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethyl]acetamide?
The InChIKey is UZOLTEVRLZCRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-11(21)17-9-15(22)20-8-7-14-13(10-20)16(19-18-14)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,17,21)(H,18,19).
What are the key properties of N-[2-oxo-2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethyl]acetamide?
N-[2-oxo-2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethyl]acetamide has a molecular weight of 298.35 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethyl]acetamide is sourced from PubChem (CID 53185457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).