3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethylphenyl)propanamide

C27H30N4O3 — CID 23604151

IUPAC3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)CCc2c(C)n(CC)c3cc(-c4ccccc4OC)nn3c2=O)cc1
InChIInChI=1S/C27H30N4O3/c1-5-19-11-13-20(14-12-19)28-25(32)16-15-21-18(3)30(6-2)26-17-23(29-31(26)27(21)33)22-9-7-8-10-24(22)34-4/h7-14,17H,5-6,15-16H2,1-4H3,(H,28,32)
InChIKeyZZKMNNWCENGLOH-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.63
Rot. Bonds8

About 3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethylphenyl)propanamide

3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethylphenyl)propanamide (PubChem CID 23604151) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is 3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethylphenyl)propanamide.

Molecular Properties

Compound Name3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethylphenyl)propanamide
PubChem CID23604151
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Name3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)CCc2c(C)n(CC)c3cc(-c4ccccc4OC)nn3c2=O)cc1
InChIInChI=1S/C27H30N4O3/c1-5-19-11-13-20(14-12-19)28-25(32)16-15-21-18(3)30(6-2)26-17-23(29-31(26)27(21)33)22-9-7-8-10-24(22)34-4/h7-14,17H,5-6,15-16H2,1-4H3,(H,28,32)
InChIKeyZZKMNNWCENGLOH-UHFFFAOYSA-N
XLogP4.63
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanoylamino]benzoate
CID 20863765
3-[2-(2-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-methylphenyl)propanamide
CID 53030448
3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2R)-2-phenylpropyl]propanamide
CID 92669336
N-(2,5-dimethylphenyl)-3-[2-(2-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 53093229
N-[(4-chlorophenyl)methyl]-3-[2-(2-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 53030453
3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethylphenyl)propanamide
CID 20863409
3-(2,6-dimethoxyphenyl)-N-(4-ethylphenyl)propanamide
CID 100789404
6-[3-(azepan-1-yl)-3-oxopropyl]-2-(2-methoxyphenyl)-4,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one
CID 53030432
N-(3-ethylphenyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 53093240
N-(3,4-difluorophenyl)-3-[4,5-dimethyl-2-(2-methylphenyl)-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 53093256
3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-ethylphenyl)propanamide
CID 20862942
3-(4-ethyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(4-fluorophenyl)propanamide
CID 53046304

Frequently Asked Questions

What is the IUPAC name of 3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethylphenyl)propanamide?
The IUPAC name of 3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethylphenyl)propanamide (CID 23604151) is 3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethylphenyl)propanamide.
What is the SMILES notation for 3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethylphenyl)propanamide?
The canonical SMILES for 3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethylphenyl)propanamide is CCc1ccc(NC(=O)CCc2c(C)n(CC)c3cc(-c4ccccc4OC)nn3c2=O)cc1.
What is the InChIKey of 3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethylphenyl)propanamide?
The InChIKey is ZZKMNNWCENGLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-5-19-11-13-20(14-12-19)28-25(32)16-15-21-18(3)30(6-2)26-17-23(29-31(26)27(21)33)22-9-7-8-10-24(22)34-4/h7-14,17H,5-6,15-16H2,1-4H3,(H,28,32).
What are the key properties of 3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethylphenyl)propanamide?
3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethylphenyl)propanamide has a molecular weight of 458.56 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethylphenyl)propanamide is sourced from PubChem (CID 23604151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).