N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-4-(2-oxopyrrolidin-1-yl)benzamide

C22H24N6O2 — CID 56573611

IUPACN-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccc(N3CCCC3=O)cc2)n(-c2ncccn2)n1
InChIInChI=1S/C22H24N6O2/c1-22(2,3)17-14-18(28(26-17)21-23-11-5-12-24-21)25-20(30)15-7-9-16(10-8-15)27-13-4-6-19(27)29/h5,7-12,14H,4,6,13H2,1-3H3,(H,25,30)
InChIKeyRYHHVWJUIQCUBX-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.34
Rot. Bonds4

About N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-4-(2-oxopyrrolidin-1-yl)benzamide

N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 56573611) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID56573611
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC NameN-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccc(N3CCCC3=O)cc2)n(-c2ncccn2)n1
InChIInChI=1S/C22H24N6O2/c1-22(2,3)17-14-18(28(26-17)21-23-11-5-12-24-21)25-20(30)15-7-9-16(10-8-15)27-13-4-6-19(27)29/h5,7-12,14H,4,6,13H2,1-3H3,(H,25,30)
InChIKeyRYHHVWJUIQCUBX-UHFFFAOYSA-N
XLogP3.34
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 56550919
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-3-(methylsulfonylmethyl)benzamide
CID 56534380
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26243376
4-(2-oxopyrrolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 51081174
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-3-(dimethylsulfamoyl)benzamide
CID 56573549
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(2-oxopiperidin-1-yl)benzamide
CID 55480744
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 43073960
N-(2-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 7750845
4-acetamido-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 78788340
N-(3-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27256400
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-4-ethylbenzamide
CID 42732616
N-(2-chloro-4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 7760528

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-4-(2-oxopyrrolidin-1-yl)benzamide (CID 56573611) is N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-4-(2-oxopyrrolidin-1-yl)benzamide is CC(C)(C)c1cc(NC(=O)c2ccc(N3CCCC3=O)cc2)n(-c2ncccn2)n1.
What is the InChIKey of N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is RYHHVWJUIQCUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-22(2,3)17-14-18(28(26-17)21-23-11-5-12-24-21)25-20(30)15-7-9-16(10-8-15)27-13-4-6-19(27)29/h5,7-12,14H,4,6,13H2,1-3H3,(H,25,30).
What are the key properties of N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-4-(2-oxopyrrolidin-1-yl)benzamide?
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 404.47 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 56573611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).