N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

C23H25N5O2 — CID 56531345

IUPACN-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2CC(=O)N(c3ccccc3)C2)n(-c2ccccn2)n1
InChIInChI=1S/C23H25N5O2/c1-23(2,3)18-14-20(28(26-18)19-11-7-8-12-24-19)25-22(30)16-13-21(29)27(15-16)17-9-5-4-6-10-17/h4-12,14,16H,13,15H2,1-3H3,(H,25,30)
InChIKeyFLXBRWLNSFMOGB-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.56
Rot. Bonds4

About N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 56531345) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID56531345
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC NameN-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2CC(=O)N(c3ccccc3)C2)n(-c2ccccn2)n1
InChIInChI=1S/C23H25N5O2/c1-23(2,3)18-14-20(28(26-18)19-11-7-8-12-24-19)25-22(30)16-13-21(29)27(15-16)17-9-5-4-6-10-17/h4-12,14,16H,13,15H2,1-3H3,(H,25,30)
InChIKeyFLXBRWLNSFMOGB-UHFFFAOYSA-N
XLogP3.56
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 56531420
1-cyclopropyl-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 138996070
N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)cyclopropanecarboxamide
CID 3966984
(3S)-5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 40500966
(3R)-5-oxo-1-phenyl-N-(2-phenylpyrimidin-5-yl)pyrrolidine-3-carboxamide
CID 51937891
(3R)-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39348196
(3S)-1-(4-methylphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 1088260
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 56551244
1-(4-acetamidophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 17120007
(3R)-N-[2,2-dimethyl-3-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40736715
N-[4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-4-oxobutyl]benzamide
CID 56531701
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 56531739

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 56531345) is N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is CC(C)(C)c1cc(NC(=O)C2CC(=O)N(c3ccccc3)C2)n(-c2ccccn2)n1.
What is the InChIKey of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is FLXBRWLNSFMOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-23(2,3)18-14-20(28(26-18)19-11-7-8-12-24-19)25-22(30)16-13-21(29)27(15-16)17-9-5-4-6-10-17/h4-12,14,16H,13,15H2,1-3H3,(H,25,30).
What are the key properties of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 56531345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).