1-(2-methylpropyl)-5-oxo-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrrolidine-3-carboxamide

C18H28N4O2 — CID 50960412

IUPAC1-(2-methylpropyl)-5-oxo-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCC(C)CN1CC(C(=O)NCCc2n[nH]c3c2CCCC3)CC1=O
InChIInChI=1S/C18H28N4O2/c1-12(2)10-22-11-13(9-17(22)23)18(24)19-8-7-16-14-5-3-4-6-15(14)20-21-16/h12-13H,3-11H2,1-2H3,(H,19,24)(H,20,21)
InChIKeyRGEUEFZAZKRAQK-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.45
Rot. Bonds6

About 1-(2-methylpropyl)-5-oxo-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrrolidine-3-carboxamide

1-(2-methylpropyl)-5-oxo-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 50960412) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-(2-methylpropyl)-5-oxo-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropyl)-5-oxo-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID50960412
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-(2-methylpropyl)-5-oxo-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCC(C)CN1CC(C(=O)NCCc2n[nH]c3c2CCCC3)CC1=O
InChIInChI=1S/C18H28N4O2/c1-12(2)10-22-11-13(9-17(22)23)18(24)19-8-7-16-14-5-3-4-6-15(14)20-21-16/h12-13H,3-11H2,1-2H3,(H,19,24)(H,20,21)
InChIKeyRGEUEFZAZKRAQK-UHFFFAOYSA-N
XLogP1.45
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-methylpropyl)-5-oxo-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrrolidine-3-carboxamide 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-(2-methylpropyl)-5-oxo-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-methylpropyl)-5-oxo-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrrolidine-3-carboxamide (CID 50960412) is 1-(2-methylpropyl)-5-oxo-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-methylpropyl)-5-oxo-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-methylpropyl)-5-oxo-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrrolidine-3-carboxamide is CC(C)CN1CC(C(=O)NCCc2n[nH]c3c2CCCC3)CC1=O.
What is the InChIKey of 1-(2-methylpropyl)-5-oxo-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is RGEUEFZAZKRAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-12(2)10-22-11-13(9-17(22)23)18(24)19-8-7-16-14-5-3-4-6-15(14)20-21-16/h12-13H,3-11H2,1-2H3,(H,19,24)(H,20,21).
What are the key properties of 1-(2-methylpropyl)-5-oxo-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrrolidine-3-carboxamide?
1-(2-methylpropyl)-5-oxo-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-5-oxo-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 50960412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).