5-cyclopropyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C22H18F3N7O2 — CID 19447499

About 5-cyclopropyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-cyclopropyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19447499) has the molecular formula C22H18F3N7O2 and a molecular weight of 469.43 g/mol. Its IUPAC name is 5-cyclopropyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 5-cyclopropyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 19447499
• Molecular Formula: C22H18F3N7O2
• Molecular Weight: 469.43 g/mol
• Exact Mass: 469.15
• IUPAC Name: 5-cyclopropyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: Cn1ccc(C(=O)Nc2cccc(NC(=O)c3cc4nc(C5CC5)cc(C(F)(F)F)n4n3)c2)n1
• InChI: InChI=1S/C22H18F3N7O2/c1-31-8-7-15(29-31)20(33)26-13-3-2-4-14(9-13)27-21(34)17-11-19-28-16(12-5-6-12)10-18(22(23,24)25)32(19)30-17/h2-4,7-12H,5-6H2,1H3,(H,26,33)(H,27,34)
• InChIKey: YXWHZAFTQCOERN-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 106.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.43
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of 5-cyclopropyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19447499) is 5-cyclopropyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

What is the SMILES notation for 5-cyclopropyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for 5-cyclopropyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cn1ccc(C(=O)Nc2cccc(NC(=O)c3cc4nc(C5CC5)cc(C(F)(F)F)n4n3)c2)n1.

What is the InChIKey of 5-cyclopropyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The InChIKey is YXWHZAFTQCOERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N7O2/c1-31-8-7-15(29-31)20(33)26-13-3-2-4-14(9-13)27-21(34)17-11-19-28-16(12-5-6-12)10-18(22(23,24)25)32(19)30-17/h2-4,7-12H,5-6H2,1H3,(H,26,33)(H,27,34).

What are the key properties of 5-cyclopropyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

5-cyclopropyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 469.43 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19447499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).