N-(5-tert-butyl-1H-pyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C15H24N4O2 — CID 115589946

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)Nc2cc(C(C)(C)C)[nH]n2)CC1=O
InChIInChI=1S/C15H24N4O2/c1-9(2)19-8-10(6-13(19)20)14(21)16-12-7-11(17-18-12)15(3,4)5/h7,9-10H,6,8H2,1-5H3,(H2,16,17,18,21)
InChIKeyOSDNNWCADNDIDT-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.90
Rot. Bonds3

About N-(5-tert-butyl-1H-pyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 115589946) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID115589946
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)Nc2cc(C(C)(C)C)[nH]n2)CC1=O
InChIInChI=1S/C15H24N4O2/c1-9(2)19-8-10(6-13(19)20)14(21)16-12-7-11(17-18-12)15(3,4)5/h7,9-10H,6,8H2,1-5H3,(H2,16,17,18,21)
InChIKeyOSDNNWCADNDIDT-UHFFFAOYSA-N
XLogP1.90
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 115589946) is N-(5-tert-butyl-1H-pyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is CC(C)N1CC(C(=O)Nc2cc(C(C)(C)C)[nH]n2)CC1=O.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is OSDNNWCADNDIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-9(2)19-8-10(6-13(19)20)14(21)16-12-7-11(17-18-12)15(3,4)5/h7,9-10H,6,8H2,1-5H3,(H2,16,17,18,21).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 115589946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).