1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide

C11H16N4O2 — CID 168696300

IUPAC1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1[nH]nc(N2CC(C(N)=O)CC2=O)c1C
InChIInChI=1S/C11H16N4O2/c1-3-8-6(2)11(14-13-8)15-5-7(10(12)17)4-9(15)16/h7H,3-5H2,1-2H3,(H2,12,17)(H,13,14)
InChIKeyRMCFSOSQAIQJIN-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.12
Rot. Bonds3

About 1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide

1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168696300) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168696300
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1[nH]nc(N2CC(C(N)=O)CC2=O)c1C
InChIInChI=1S/C11H16N4O2/c1-3-8-6(2)11(14-13-8)15-5-7(10(12)17)4-9(15)16/h7H,3-5H2,1-2H3,(H2,12,17)(H,13,14)
InChIKeyRMCFSOSQAIQJIN-UHFFFAOYSA-N
XLogP0.12
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)pyrrolidin-2-one
CID 168687559
ethyl 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-1H-1,2,4-triazole-5-carboxylate
CID 168696251
1-(3-amino-6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168696888
1-(3,5-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168696816
1-(3-amino-5-bromopyrazin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698071
1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168697095
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168696905
1-(4,5-dimethyl-1H-pyrazol-3-yl)-4-hydroxypyrrolidin-2-one
CID 168702622
4-amino-1-(4,5-dimethyl-1H-pyrazol-3-yl)pyrrolidin-2-one
CID 168699870
1-(4-bromo-3-ethyl-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 50880480
5-oxo-1-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
CID 168698653
(3R)-1-(4-amino-2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 100804799

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 168696300) is 1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide is CCc1[nH]nc(N2CC(C(N)=O)CC2=O)c1C.
What is the InChIKey of 1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RMCFSOSQAIQJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-3-8-6(2)11(14-13-8)15-5-7(10(12)17)4-9(15)16/h7H,3-5H2,1-2H3,(H2,12,17)(H,13,14).
What are the key properties of 1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168696300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).