5,7-dimethyl-N-propyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H28N4O — CID 3393297

IUPAC5,7-dimethyl-N-propyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCNC(=O)c1cnn2c(C)c(Cc3c(C)cc(C)cc3C)c(C)nc12
InChIInChI=1S/C22H28N4O/c1-7-8-23-22(27)20-12-24-26-17(6)19(16(5)25-21(20)26)11-18-14(3)9-13(2)10-15(18)4/h9-10,12H,7-8,11H2,1-6H3,(H,23,27)
InChIKeyQIUYFSDXKFQBQL-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.00
Rot. Bonds5

About 5,7-dimethyl-N-propyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5,7-dimethyl-N-propyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 3393297) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 5,7-dimethyl-N-propyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-propyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID3393297
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name5,7-dimethyl-N-propyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCNC(=O)c1cnn2c(C)c(Cc3c(C)cc(C)cc3C)c(C)nc12
InChIInChI=1S/C22H28N4O/c1-7-8-23-22(27)20-12-24-26-17(6)19(16(5)25-21(20)26)11-18-14(3)9-13(2)10-15(18)4/h9-10,12H,7-8,11H2,1-6H3,(H,23,27)
InChIKeyQIUYFSDXKFQBQL-UHFFFAOYSA-N
XLogP4.00
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,7-dimethyl-N-propyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide 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 5,7-dimethyl-N-propyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5,7-dimethyl-N-propyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 3393297) is 5,7-dimethyl-N-propyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-propyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-propyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCCNC(=O)c1cnn2c(C)c(Cc3c(C)cc(C)cc3C)c(C)nc12.
What is the InChIKey of 5,7-dimethyl-N-propyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QIUYFSDXKFQBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-7-8-23-22(27)20-12-24-26-17(6)19(16(5)25-21(20)26)11-18-14(3)9-13(2)10-15(18)4/h9-10,12H,7-8,11H2,1-6H3,(H,23,27).
What are the key properties of 5,7-dimethyl-N-propyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5,7-dimethyl-N-propyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-propyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 3393297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).