3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide

C22H28N4O3 — CID 20863460

IUPAC3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide
SMILESCCCNC(=O)CCc1c(C)nc2cc(-c3ccc(OC)cc3OC)nn2c1C
InChIInChI=1S/C22H28N4O3/c1-6-11-23-22(27)10-9-17-14(2)24-21-13-19(25-26(21)15(17)3)18-8-7-16(28-4)12-20(18)29-5/h7-8,12-13H,6,9-11H2,1-5H3,(H,23,27)
InChIKeyZHSCOLUMLZXXBT-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.49
Rot. Bonds8

About 3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide

3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide (PubChem CID 20863460) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide.

Molecular Properties

Compound Name3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide
PubChem CID20863460
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide
SMILESCCCNC(=O)CCc1c(C)nc2cc(-c3ccc(OC)cc3OC)nn2c1C
InChIInChI=1S/C22H28N4O3/c1-6-11-23-22(27)10-9-17-14(2)24-21-13-19(25-26(21)15(17)3)18-8-7-16(28-4)12-20(18)29-5/h7-8,12-13H,6,9-11H2,1-5H3,(H,23,27)
InChIKeyZHSCOLUMLZXXBT-UHFFFAOYSA-N
XLogP3.49
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 20863457
3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethylphenyl)propanamide
CID 20863409
3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(6-methyl-2-pyridinyl)propanamide
CID 20863489
N-hexyl-3-[2-(2-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 20863291
2-[3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoylamino]benzamide
CID 6622537
3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 20863481
N-[3-(1-benzylpiperidin-4-yl)propyl]-3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 46255720
ethyl (3S)-3-[3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoylamino]-3-thiophen-2-ylpropanoate
CID 92906441
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-phenylethyl)propanamide
CID 20862911
3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-phenyl-3H-benzimidazol-5-yl)propanamide
CID 20863474
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 20862904
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 122175591

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide?
The IUPAC name of 3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide (CID 20863460) is 3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide.
What is the SMILES notation for 3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide?
The canonical SMILES for 3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide is CCCNC(=O)CCc1c(C)nc2cc(-c3ccc(OC)cc3OC)nn2c1C.
What is the InChIKey of 3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide?
The InChIKey is ZHSCOLUMLZXXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-6-11-23-22(27)10-9-17-14(2)24-21-13-19(25-26(21)15(17)3)18-8-7-16(28-4)12-20(18)29-5/h7-8,12-13H,6,9-11H2,1-5H3,(H,23,27).
What are the key properties of 3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide?
3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide has a molecular weight of 396.49 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide is sourced from PubChem (CID 20863460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).