[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-[(3R)-3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone

C22H20ClF3N4O — CID 92553430

About [(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-[(3R)-3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone

[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-[(3R)-3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 92553430) has the molecular formula C22H20ClF3N4O and a molecular weight of 448.88 g/mol. Its IUPAC name is [(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-[(3R)-3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: [(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-[(3R)-3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
• PubChem CID: 92553430
• Molecular Formula: C22H20ClF3N4O
• Molecular Weight: 448.88 g/mol
• Exact Mass: 448.13
• IUPAC Name: [(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-[(3R)-3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
• SMILES: Cc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@@H]4C[C@@H]4c4ccc(Cl)cc4)C3)cc2n1
• InChI: InChI=1S/C22H20ClF3N4O/c1-12-8-19(22(24,25)26)30-20(27-12)10-18(28-30)14-6-7-29(11-14)21(31)17-9-16(17)13-2-4-15(23)5-3-13/h2-5,8,10,14,16-17H,6-7,9,11H2,1H3/t14-,16-,17-/m1/s1
• InChIKey: IQAGSCYULMNRDZ-DJIMGWMZSA-N
• XLogP: 4.83
• TPSA: 50.50 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.88
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-[(3R)-3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone?

The IUPAC name of [(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-[(3R)-3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone (CID 92553430) is [(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-[(3R)-3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for [(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-[(3R)-3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone?

The canonical SMILES for [(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-[(3R)-3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone is Cc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@@H]4C[C@@H]4c4ccc(Cl)cc4)C3)cc2n1.

What is the InChIKey of [(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-[(3R)-3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone?

The InChIKey is IQAGSCYULMNRDZ-DJIMGWMZSA-N. The full InChI is InChI=1S/C22H20ClF3N4O/c1-12-8-19(22(24,25)26)30-20(27-12)10-18(28-30)14-6-7-29(11-14)21(31)17-9-16(17)13-2-4-15(23)5-3-13/h2-5,8,10,14,16-17H,6-7,9,11H2,1H3/t14-,16-,17-/m1/s1.

What are the key properties of [(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-[(3R)-3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone?

[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-[(3R)-3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 448.88 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-[(3R)-3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 92553430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).