N-benzyl-2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide

C24H24N4O2 — CID 171619030

IUPACN-benzyl-2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
SMILESCOc1ccc(-c2nn3c(C)cc(C)nc3c2CC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C24H24N4O2/c1-16-13-17(2)28-24(26-16)21(14-22(29)25-15-18-7-5-4-6-8-18)23(27-28)19-9-11-20(30-3)12-10-19/h4-13H,14-15H2,1-3H3,(H,25,29)
InChIKeyRJFPMUHVGVVQRD-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.88
Rot. Bonds6

About N-benzyl-2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide

N-benzyl-2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide (PubChem CID 171619030) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-benzyl-2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
PubChem CID171619030
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-benzyl-2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
SMILESCOc1ccc(-c2nn3c(C)cc(C)nc3c2CC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C24H24N4O2/c1-16-13-17(2)28-24(26-16)21(14-22(29)25-15-18-7-5-4-6-8-18)23(27-28)19-9-11-20(30-3)12-10-19/h4-13H,14-15H2,1-3H3,(H,25,29)
InChIKeyRJFPMUHVGVVQRD-UHFFFAOYSA-N
XLogP3.88
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-(4-methylphenyl)acetamide
CID 171618999
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
2-(3-methoxyphenyl)-N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]acetamide
CID 53148124
2-(4-methoxyphenyl)-N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]acetamide
CID 53148125
methyl 4-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate
CID 57412729
2-[5,7-dimethyl-2-[4-(methylsulfanylmethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide
CID 71181881
1-indol-1-yl-2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]ethanol
CID 174327358
2-[2-(4-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-phenylacetamide
CID 171619043
N,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 27843936
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2302373
N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]benzamide
CID 53148143
N-[(4-methoxyphenyl)methyl]-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3860137

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide?
The IUPAC name of N-benzyl-2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide (CID 171619030) is N-benzyl-2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide?
The canonical SMILES for N-benzyl-2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide is COc1ccc(-c2nn3c(C)cc(C)nc3c2CC(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide?
The InChIKey is RJFPMUHVGVVQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-16-13-17(2)28-24(26-16)21(14-22(29)25-15-18-7-5-4-6-8-18)23(27-28)19-9-11-20(30-3)12-10-19/h4-13H,14-15H2,1-3H3,(H,25,29).
What are the key properties of N-benzyl-2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide?
N-benzyl-2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide has a molecular weight of 400.48 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 171619030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).