N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide

C15H21N5O3 — CID 125174189

IUPACN-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
SMILESCOCCN1C[C@@H](CNC(=O)c2cnn3ccn(C)c23)CC1=O
InChIInChI=1S/C15H21N5O3/c1-18-3-4-20-15(18)12(9-17-20)14(22)16-8-11-7-13(21)19(10-11)5-6-23-2/h3-4,9,11H,5-8,10H2,1-2H3,(H,16,22)/t11-/m1/s1
InChIKeyGMOUESUQFSDLGY-LLVKDONJSA-N
MW319.37 g/mol
LogP-0.10
Rot. Bonds6

About N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide

N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide (PubChem CID 125174189) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
PubChem CID125174189
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC NameN-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
SMILESCOCCN1C[C@@H](CNC(=O)c2cnn3ccn(C)c23)CC1=O
InChIInChI=1S/C15H21N5O3/c1-18-3-4-20-15(18)12(9-17-20)14(22)16-8-11-7-13(21)19(10-11)5-6-23-2/h3-4,9,11H,5-8,10H2,1-2H3,(H,16,22)/t11-/m1/s1
InChIKeyGMOUESUQFSDLGY-LLVKDONJSA-N
XLogP-0.10
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The IUPAC name of N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide (CID 125174189) is N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide.
What is the SMILES notation for N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The canonical SMILES for N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide is COCCN1C[C@@H](CNC(=O)c2cnn3ccn(C)c23)CC1=O.
What is the InChIKey of N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The InChIKey is GMOUESUQFSDLGY-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-18-3-4-20-15(18)12(9-17-20)14(22)16-8-11-7-13(21)19(10-11)5-6-23-2/h3-4,9,11H,5-8,10H2,1-2H3,(H,16,22)/t11-/m1/s1.
What are the key properties of N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide has a molecular weight of 319.37 g/mol, XLogP of -0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide is sourced from PubChem (CID 125174189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).