N-(2-amino-2-oxoethyl)-3-ethyl-1-methyl-N-pyrrolidin-3-ylpyrazole-5-carboxamide

C13H21N5O2 — CID 66122670

IUPACN-(2-amino-2-oxoethyl)-3-ethyl-1-methyl-N-pyrrolidin-3-ylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)N(CC(N)=O)C2CCNC2)n(C)n1
InChIInChI=1S/C13H21N5O2/c1-3-9-6-11(17(2)16-9)13(20)18(8-12(14)19)10-4-5-15-7-10/h6,10,15H,3-5,7-8H2,1-2H3,(H2,14,19)
InChIKeyAGBPNQIRHYUAAR-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.73
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-3-ethyl-1-methyl-N-pyrrolidin-3-ylpyrazole-5-carboxamide

N-(2-amino-2-oxoethyl)-3-ethyl-1-methyl-N-pyrrolidin-3-ylpyrazole-5-carboxamide (PubChem CID 66122670) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-ethyl-1-methyl-N-pyrrolidin-3-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-ethyl-1-methyl-N-pyrrolidin-3-ylpyrazole-5-carboxamide
PubChem CID66122670
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC NameN-(2-amino-2-oxoethyl)-3-ethyl-1-methyl-N-pyrrolidin-3-ylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)N(CC(N)=O)C2CCNC2)n(C)n1
InChIInChI=1S/C13H21N5O2/c1-3-9-6-11(17(2)16-9)13(20)18(8-12(14)19)10-4-5-15-7-10/h6,10,15H,3-5,7-8H2,1-2H3,(H2,14,19)
InChIKeyAGBPNQIRHYUAAR-UHFFFAOYSA-N
XLogP-0.73
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-amino-2-oxoethyl)-3-ethyl-1-methyl-N-pyrrolidin-3-ylpyrazole-5-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 N-(2-amino-2-oxoethyl)-3-ethyl-1-methyl-N-pyrrolidin-3-ylpyrazole-5-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-ethyl-1-methyl-N-pyrrolidin-3-ylpyrazole-5-carboxamide (CID 66122670) is N-(2-amino-2-oxoethyl)-3-ethyl-1-methyl-N-pyrrolidin-3-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-ethyl-1-methyl-N-pyrrolidin-3-ylpyrazole-5-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-ethyl-1-methyl-N-pyrrolidin-3-ylpyrazole-5-carboxamide is CCc1cc(C(=O)N(CC(N)=O)C2CCNC2)n(C)n1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-ethyl-1-methyl-N-pyrrolidin-3-ylpyrazole-5-carboxamide?
The InChIKey is AGBPNQIRHYUAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-3-9-6-11(17(2)16-9)13(20)18(8-12(14)19)10-4-5-15-7-10/h6,10,15H,3-5,7-8H2,1-2H3,(H2,14,19).
What are the key properties of N-(2-amino-2-oxoethyl)-3-ethyl-1-methyl-N-pyrrolidin-3-ylpyrazole-5-carboxamide?
N-(2-amino-2-oxoethyl)-3-ethyl-1-methyl-N-pyrrolidin-3-ylpyrazole-5-carboxamide has a molecular weight of 279.34 g/mol, XLogP of -0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-ethyl-1-methyl-N-pyrrolidin-3-ylpyrazole-5-carboxamide is sourced from PubChem (CID 66122670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).