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

C25H26N4O2 — CID 171618999

IUPAC2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(-c2nn3c(C)cc(C)nc3c2CC(=O)N(C)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H26N4O2/c1-16-6-10-20(11-7-16)28(4)23(30)15-22-24(19-8-12-21(31-5)13-9-19)27-29-18(3)14-17(2)26-25(22)29/h6-14H,15H2,1-5H3
InChIKeyBOTMYWRZYPSYPB-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.54
Rot. Bonds5

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

2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-(4-methylphenyl)acetamide (PubChem CID 171618999) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-(4-methylphenyl)acetamide
PubChem CID171618999
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(-c2nn3c(C)cc(C)nc3c2CC(=O)N(C)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H26N4O2/c1-16-6-10-20(11-7-16)28(4)23(30)15-22-24(19-8-12-21(31-5)13-9-19)27-29-18(3)14-17(2)26-25(22)29/h6-14H,15H2,1-5H3
InChIKeyBOTMYWRZYPSYPB-UHFFFAOYSA-N
XLogP4.54
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-(4-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-(4-methylphenyl)acetamide (CID 171618999) is 2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-(4-methylphenyl)acetamide is COc1ccc(-c2nn3c(C)cc(C)nc3c2CC(=O)N(C)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-(4-methylphenyl)acetamide?
The InChIKey is BOTMYWRZYPSYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-16-6-10-20(11-7-16)28(4)23(30)15-22-24(19-8-12-21(31-5)13-9-19)27-29-18(3)14-17(2)26-25(22)29/h6-14H,15H2,1-5H3.
What are the key properties of 2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-(4-methylphenyl)acetamide?
2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-(4-methylphenyl)acetamide has a molecular weight of 414.51 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 171618999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).