N-[2-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]acetamide

C17H20N4O2 — CID 53185504

IUPACN-[2-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCc2[nH]nc(-c3ccc(C)cc3)c2C1
InChIInChI=1S/C17H20N4O2/c1-11-3-5-13(6-4-11)17-14-10-21(8-7-15(14)19-20-17)16(23)9-18-12(2)22/h3-6H,7-10H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyCOSZCJFBQDAREW-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.41
Rot. Bonds3

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

N-[2-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]acetamide (PubChem CID 53185504) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[2-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]acetamide
PubChem CID53185504
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[2-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCc2[nH]nc(-c3ccc(C)cc3)c2C1
InChIInChI=1S/C17H20N4O2/c1-11-3-5-13(6-4-11)17-14-10-21(8-7-15(14)19-20-17)16(23)9-18-12(2)22/h3-6H,7-10H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyCOSZCJFBQDAREW-UHFFFAOYSA-N
XLogP1.41
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]acetamide (CID 53185504) is N-[2-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCc2[nH]nc(-c3ccc(C)cc3)c2C1.
What is the InChIKey of N-[2-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]acetamide?
The InChIKey is COSZCJFBQDAREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-11-3-5-13(6-4-11)17-14-10-21(8-7-15(14)19-20-17)16(23)9-18-12(2)22/h3-6H,7-10H2,1-2H3,(H,18,22)(H,19,20).
What are the key properties of N-[2-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]acetamide?
N-[2-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]acetamide has a molecular weight of 312.37 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 53185504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).