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

C13H16N4O2 — CID 97388943

IUPAC1-[3-(2,5-dihydropyrrole-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2[nH]nc(C(=O)N3CC=CC3)c2C1
InChIInChI=1S/C13H16N4O2/c1-9(18)17-7-4-11-10(8-17)12(15-14-11)13(19)16-5-2-3-6-16/h2-3H,4-8H2,1H3,(H,14,15)
InChIKeyJRPATCHLHRTVGM-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.33
Rot. Bonds1

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

1-[3-(2,5-dihydropyrrole-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 97388943) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-[3-(2,5-dihydropyrrole-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2,5-dihydropyrrole-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID97388943
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name1-[3-(2,5-dihydropyrrole-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2[nH]nc(C(=O)N3CC=CC3)c2C1
InChIInChI=1S/C13H16N4O2/c1-9(18)17-7-4-11-10(8-17)12(15-14-11)13(19)16-5-2-3-6-16/h2-3H,4-8H2,1H3,(H,14,15)
InChIKeyJRPATCHLHRTVGM-UHFFFAOYSA-N
XLogP0.33
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[3-(2,5-dihydropyrrole-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone 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 1-[3-(2,5-dihydropyrrole-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-(2,5-dihydropyrrole-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 97388943) is 1-[3-(2,5-dihydropyrrole-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-(2,5-dihydropyrrole-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-(2,5-dihydropyrrole-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2[nH]nc(C(=O)N3CC=CC3)c2C1.
What is the InChIKey of 1-[3-(2,5-dihydropyrrole-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is JRPATCHLHRTVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9(18)17-7-4-11-10(8-17)12(15-14-11)13(19)16-5-2-3-6-16/h2-3H,4-8H2,1H3,(H,14,15).
What are the key properties of 1-[3-(2,5-dihydropyrrole-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-(2,5-dihydropyrrole-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 260.30 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-dihydropyrrole-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 97388943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).