2,5,7-trimethyl-N-[4-[[methyl(propan-2-yl)amino]methyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H27N5O — CID 167909812

About 2,5,7-trimethyl-N-[4-[[methyl(propan-2-yl)amino]methyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2,5,7-trimethyl-N-[4-[[methyl(propan-2-yl)amino]methyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 167909812) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 2,5,7-trimethyl-N-[4-[[methyl(propan-2-yl)amino]methyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2,5,7-trimethyl-N-[4-[[methyl(propan-2-yl)amino]methyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 167909812
• Molecular Formula: C21H27N5O
• Molecular Weight: 365.48 g/mol
• Exact Mass: 365.22
• IUPAC Name: 2,5,7-trimethyl-N-[4-[[methyl(propan-2-yl)amino]methyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1cc(C)n2nc(C)c(C(=O)Nc3ccc(CN(C)C(C)C)cc3)c2n1
• InChI: InChI=1S/C21H27N5O/c1-13(2)25(6)12-17-7-9-18(10-8-17)23-21(27)19-16(5)24-26-15(4)11-14(3)22-20(19)26/h7-11,13H,12H2,1-6H3,(H,23,27)
• InChIKey: KULIBGLZFWCUOY-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 62.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.48
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,5,7-trimethyl-N-[4-[[methyl(propan-2-yl)amino]methyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 2,5,7-trimethyl-N-[4-[[methyl(propan-2-yl)amino]methyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 167909812) is 2,5,7-trimethyl-N-[4-[[methyl(propan-2-yl)amino]methyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 2,5,7-trimethyl-N-[4-[[methyl(propan-2-yl)amino]methyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 2,5,7-trimethyl-N-[4-[[methyl(propan-2-yl)amino]methyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)n2nc(C)c(C(=O)Nc3ccc(CN(C)C(C)C)cc3)c2n1.

What is the InChIKey of 2,5,7-trimethyl-N-[4-[[methyl(propan-2-yl)amino]methyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is KULIBGLZFWCUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-13(2)25(6)12-17-7-9-18(10-8-17)23-21(27)19-16(5)24-26-15(4)11-14(3)22-20(19)26/h7-11,13H,12H2,1-6H3,(H,23,27).

What are the key properties of 2,5,7-trimethyl-N-[4-[[methyl(propan-2-yl)amino]methyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

2,5,7-trimethyl-N-[4-[[methyl(propan-2-yl)amino]methyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5,7-trimethyl-N-[4-[[methyl(propan-2-yl)amino]methyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 167909812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).