N-benzyl-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenylethyl)acetamide

C25H26N4O2 — CID 56531541

IUPACN-benzyl-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenylethyl)acetamide
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H26N4O2/c1-18-22(19(2)29-23(26-18)16-24(30)27-29)15-25(31)28(17-21-11-7-4-8-12-21)14-13-20-9-5-3-6-10-20/h3-12,16H,13-15,17H2,1-2H3,(H,27,30)
InChIKeyIJSZRUAMFNEBDK-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.45
Rot. Bonds7

About N-benzyl-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenylethyl)acetamide

N-benzyl-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenylethyl)acetamide (PubChem CID 56531541) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-benzyl-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenylethyl)acetamide
PubChem CID56531541
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-benzyl-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenylethyl)acetamide
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H26N4O2/c1-18-22(19(2)29-23(26-18)16-24(30)27-29)15-25(31)28(17-21-11-7-4-8-12-21)14-13-20-9-5-3-6-10-20/h3-12,16H,13-15,17H2,1-2H3,(H,27,30)
InChIKeyIJSZRUAMFNEBDK-UHFFFAOYSA-N
XLogP3.45
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(1,4-diphenylbutyl)acetamide
CID 56538657
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-(4-phenylcyclohexyl)acetamide
CID 99804448
N-benzyl-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenylethyl)acetamide
CID 27827033
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methylacetamide
CID 154803381
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 56576894
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 56531961
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 56540702
N-[1-(2,4-dichlorophenyl)ethyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methylacetamide
CID 56531891
6-ethyl-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one
CID 23063922
3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(1-phenylethyl)propanamide
CID 51100400
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 56531860
N-[[4-(dimethylamino)phenyl]methyl]-2-phenyl-N-(2-phenylethyl)acetamide
CID 42706280

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of N-benzyl-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenylethyl)acetamide (CID 56531541) is N-benzyl-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-benzyl-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-benzyl-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenylethyl)acetamide is Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is IJSZRUAMFNEBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-18-22(19(2)29-23(26-18)16-24(30)27-29)15-25(31)28(17-21-11-7-4-8-12-21)14-13-20-9-5-3-6-10-20/h3-12,16H,13-15,17H2,1-2H3,(H,27,30).
What are the key properties of N-benzyl-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenylethyl)acetamide?
N-benzyl-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 414.51 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 56531541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).