3-chloro-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C24H21ClF3N7O3 — CID 2971824

About 3-chloro-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

3-chloro-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2971824) has the molecular formula C24H21ClF3N7O3 and a molecular weight of 547.93 g/mol. Its IUPAC name is 3-chloro-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 2971824
• Molecular Formula: C24H21ClF3N7O3
• Molecular Weight: 547.93 g/mol
• Exact Mass: 547.13
• IUPAC Name: 3-chloro-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: Cc1cc(NC(=O)c2nn3c(C(F)(F)F)cc(-c4ccccc4)nc3c2Cl)nn1CC(=O)N1CCOCC1
• InChI: InChI=1S/C24H21ClF3N7O3/c1-14-11-18(31-34(14)13-19(36)33-7-9-38-10-8-33)30-23(37)21-20(25)22-29-16(15-5-3-2-4-6-15)12-17(24(26,27)28)35(22)32-21/h2-6,11-12H,7-10,13H2,1H3,(H,30,31,37)
• InChIKey: BBNJIGLCUHFHKM-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 106.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.93
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of 3-chloro-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 2971824) is 3-chloro-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

What is the SMILES notation for 3-chloro-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for 3-chloro-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(NC(=O)c2nn3c(C(F)(F)F)cc(-c4ccccc4)nc3c2Cl)nn1CC(=O)N1CCOCC1.

What is the InChIKey of 3-chloro-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The InChIKey is BBNJIGLCUHFHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF3N7O3/c1-14-11-18(31-34(14)13-19(36)33-7-9-38-10-8-33)30-23(37)21-20(25)22-29-16(15-5-3-2-4-6-15)12-17(24(26,27)28)35(22)32-21/h2-6,11-12H,7-10,13H2,1H3,(H,30,31,37).

What are the key properties of 3-chloro-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

3-chloro-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 547.93 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2971824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).