1-tert-butyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C15H24N4O2 — CID 70761669

IUPAC1-tert-butyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(CNC(=O)C2CC(=O)N(C(C)(C)C)C2)n(C)n1
InChIInChI=1S/C15H24N4O2/c1-10-6-12(18(5)17-10)8-16-14(21)11-7-13(20)19(9-11)15(2,3)4/h6,11H,7-9H2,1-5H3,(H,16,21)
InChIKeyCCNRQAUOHNVWLA-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.99
Rot. Bonds3

About 1-tert-butyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide

1-tert-butyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 70761669) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-tert-butyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID70761669
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-tert-butyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(CNC(=O)C2CC(=O)N(C(C)(C)C)C2)n(C)n1
InChIInChI=1S/C15H24N4O2/c1-10-6-12(18(5)17-10)8-16-14(21)11-7-13(20)19(9-11)15(2,3)4/h6,11H,7-9H2,1-5H3,(H,16,21)
InChIKeyCCNRQAUOHNVWLA-UHFFFAOYSA-N
XLogP0.99
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 70761669) is 1-tert-butyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide is Cc1cc(CNC(=O)C2CC(=O)N(C(C)(C)C)C2)n(C)n1.
What is the InChIKey of 1-tert-butyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CCNRQAUOHNVWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-10-6-12(18(5)17-10)8-16-14(21)11-7-13(20)19(9-11)15(2,3)4/h6,11H,7-9H2,1-5H3,(H,16,21).
What are the key properties of 1-tert-butyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-tert-butyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 70761669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).