N-[2-[4-(methylamino)piperazin-1-yl]phenyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

C25H27N7O — CID 70921256

About N-[2-[4-(methylamino)piperazin-1-yl]phenyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

N-[2-[4-(methylamino)piperazin-1-yl]phenyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 70921256) has the molecular formula C25H27N7O and a molecular weight of 441.54 g/mol. Its IUPAC name is N-[2-[4-(methylamino)piperazin-1-yl]phenyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-(methylamino)piperazin-1-yl]phenyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
• PubChem CID: 70921256
• Molecular Formula: C25H27N7O
• Molecular Weight: 441.54 g/mol
• Exact Mass: 441.23
• IUPAC Name: N-[2-[4-(methylamino)piperazin-1-yl]phenyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
• SMILES: CNN1CCN(c2ccccc2NC(=O)c2ccn3ncc(-c4cccc(C)c4)c3n2)CC1
• InChI: InChI=1S/C25H27N7O/c1-18-6-5-7-19(16-18)20-17-27-32-11-10-22(28-24(20)32)25(33)29-21-8-3-4-9-23(21)30-12-14-31(26-2)15-13-30/h3-11,16-17,26H,12-15H2,1-2H3,(H,29,33)
• InChIKey: CZTYEDPFVZFAAP-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 77.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.54
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(methylamino)piperazin-1-yl]phenyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?

The IUPAC name of N-[2-[4-(methylamino)piperazin-1-yl]phenyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 70921256) is N-[2-[4-(methylamino)piperazin-1-yl]phenyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.

What is the SMILES notation for N-[2-[4-(methylamino)piperazin-1-yl]phenyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?

The canonical SMILES for N-[2-[4-(methylamino)piperazin-1-yl]phenyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is CNN1CCN(c2ccccc2NC(=O)c2ccn3ncc(-c4cccc(C)c4)c3n2)CC1.

What is the InChIKey of N-[2-[4-(methylamino)piperazin-1-yl]phenyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?

The InChIKey is CZTYEDPFVZFAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O/c1-18-6-5-7-19(16-18)20-17-27-32-11-10-22(28-24(20)32)25(33)29-21-8-3-4-9-23(21)30-12-14-31(26-2)15-13-30/h3-11,16-17,26H,12-15H2,1-2H3,(H,29,33).

What are the key properties of N-[2-[4-(methylamino)piperazin-1-yl]phenyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?

N-[2-[4-(methylamino)piperazin-1-yl]phenyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(methylamino)piperazin-1-yl]phenyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 70921256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).