N-[3-(2-methoxy-5-methylphenyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H22F3N7O3 — CID 154962002

About N-[3-(2-methoxy-5-methylphenyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(2-methoxy-5-methylphenyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 154962002) has the molecular formula C23H22F3N7O3 and a molecular weight of 501.47 g/mol. Its IUPAC name is N-[3-(2-methoxy-5-methylphenyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(2-methoxy-5-methylphenyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 154962002
• Molecular Formula: C23H22F3N7O3
• Molecular Weight: 501.47 g/mol
• Exact Mass: 501.17
• IUPAC Name: N-[3-(2-methoxy-5-methylphenyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: COc1ccc(C)cc1-c1nn(CC(=O)N(C)CC(F)(F)F)cc1NC(=O)c1cnn2cccnc12
• InChI: InChI=1S/C23H22F3N7O3/c1-14-5-6-18(36-3)15(9-14)20-17(11-32(30-20)12-19(34)31(2)13-23(24,25)26)29-22(35)16-10-28-33-8-4-7-27-21(16)33/h4-11H,12-13H2,1-3H3,(H,29,35)
• InChIKey: TZJHALNGMJCJLM-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 106.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.47
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxy-5-methylphenyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[3-(2-methoxy-5-methylphenyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 154962002) is N-[3-(2-methoxy-5-methylphenyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[3-(2-methoxy-5-methylphenyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[3-(2-methoxy-5-methylphenyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(C)cc1-c1nn(CC(=O)N(C)CC(F)(F)F)cc1NC(=O)c1cnn2cccnc12.

What is the InChIKey of N-[3-(2-methoxy-5-methylphenyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is TZJHALNGMJCJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N7O3/c1-14-5-6-18(36-3)15(9-14)20-17(11-32(30-20)12-19(34)31(2)13-23(24,25)26)29-22(35)16-10-28-33-8-4-7-27-21(16)33/h4-11H,12-13H2,1-3H3,(H,29,35).

What are the key properties of N-[3-(2-methoxy-5-methylphenyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[3-(2-methoxy-5-methylphenyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 501.47 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(2-methoxy-5-methylphenyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 154962002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).