1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-3-carboxamide

C13H20N4O2 — CID 6469837

IUPAC1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NCCCN2CCCC2=O)n1
InChIInChI=1S/C13H20N4O2/c1-2-17-10-6-11(15-17)13(19)14-7-4-9-16-8-3-5-12(16)18/h6,10H,2-5,7-9H2,1H3,(H,14,19)
InChIKeyXUCRAIPBKLHZTK-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.65
Rot. Bonds6

About 1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-3-carboxamide

1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-3-carboxamide (PubChem CID 6469837) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-3-carboxamide
PubChem CID6469837
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NCCCN2CCCC2=O)n1
InChIInChI=1S/C13H20N4O2/c1-2-17-10-6-11(15-17)13(19)14-7-4-9-16-8-3-5-12(16)18/h6,10H,2-5,7-9H2,1H3,(H,14,19)
InChIKeyXUCRAIPBKLHZTK-UHFFFAOYSA-N
XLogP0.65
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 844027
4-chloro-1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 843848
N-(2-cyano-1-cyclopentenyl)-1-ethyl-3-pyrazolecarboxamide
CID 891902
N-methyl-3-(1-piperidinylcarbonyl)-1H-pyrazole-1-carboxamide
CID 874546
N-cyclopentyl-1-ethylpyrazole-3-carboxamide
CID 6464929
2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-3-carboxamide
CID 652342
N-(2-aminoethyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 2060975
4H,5H,6H,7H-pyrazolo(1,5-a)pyrazin-4-one
CID 55276477
Pyrazolo[1,5-a]pyrazin-4-ol
CID 58157139
1-Methyl-1H-pyrazole-3-carboxamide
CID 13464586
1-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1H-pyrazole-3-carboxamide
CID 1224835
N-[2-(4-Hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-methyl-1H-pyrazole-5-carboxamide
CID 573225

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-3-carboxamide (CID 6469837) is 1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-3-carboxamide is CCn1ccc(C(=O)NCCCN2CCCC2=O)n1.
What is the InChIKey of 1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-3-carboxamide?
The InChIKey is XUCRAIPBKLHZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-17-10-6-11(15-17)13(19)14-7-4-9-16-8-3-5-12(16)18/h6,10H,2-5,7-9H2,1H3,(H,14,19).
What are the key properties of 1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-3-carboxamide?
1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-3-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-3-carboxamide is sourced from PubChem (CID 6469837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).