N-[(1S,2R)-2-phenylcyclopropyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

C21H24N4O — CID 95191269

About N-[(1S,2R)-2-phenylcyclopropyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

N-[(1S,2R)-2-phenylcyclopropyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 95191269) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(1S,2R)-2-phenylcyclopropyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

• Compound Name: N-[(1S,2R)-2-phenylcyclopropyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
• PubChem CID: 95191269
• Molecular Formula: C21H24N4O
• Molecular Weight: 348.45 g/mol
• Exact Mass: 348.20
• IUPAC Name: N-[(1S,2R)-2-phenylcyclopropyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
• SMILES: Cc1cc2nc(C)c(CCC(=O)N[C@H]3C[C@@H]3c3ccccc3)c(C)n2n1
• InChI: InChI=1S/C21H24N4O/c1-13-11-20-22-14(2)17(15(3)25(20)24-13)9-10-21(26)23-19-12-18(19)16-7-5-4-6-8-16/h4-8,11,18-19H,9-10,12H2,1-3H3,(H,23,26)/t18-,19+/m1/s1
• InChIKey: GPWSXCLWGJVWGO-MOPGFXCFSA-N
• XLogP: 3.26
• TPSA: 59.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.45
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-phenylcyclopropyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?

The IUPAC name of N-[(1S,2R)-2-phenylcyclopropyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 95191269) is N-[(1S,2R)-2-phenylcyclopropyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.

What is the SMILES notation for N-[(1S,2R)-2-phenylcyclopropyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?

The canonical SMILES for N-[(1S,2R)-2-phenylcyclopropyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is Cc1cc2nc(C)c(CCC(=O)N[C@H]3C[C@@H]3c3ccccc3)c(C)n2n1.

What is the InChIKey of N-[(1S,2R)-2-phenylcyclopropyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?

The InChIKey is GPWSXCLWGJVWGO-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H24N4O/c1-13-11-20-22-14(2)17(15(3)25(20)24-13)9-10-21(26)23-19-12-18(19)16-7-5-4-6-8-16/h4-8,11,18-19H,9-10,12H2,1-3H3,(H,23,26)/t18-,19+/m1/s1.

What are the key properties of N-[(1S,2R)-2-phenylcyclopropyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?

N-[(1S,2R)-2-phenylcyclopropyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 348.45 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,2R)-2-phenylcyclopropyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 95191269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).