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

C21H23FN4O — CID 95179345

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

N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 95179345) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

• Compound Name: N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
• PubChem CID: 95179345
• Molecular Formula: C21H23FN4O
• Molecular Weight: 366.44 g/mol
• Exact Mass: 366.19
• IUPAC Name: N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
• SMILES: Cc1cc2nc(C)c(CCC(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)c(C)n2n1
• InChI: InChI=1S/C21H23FN4O/c1-12-9-20-23-13(2)17(14(3)26(20)25-12)7-8-21(27)24-19-11-18(19)15-5-4-6-16(22)10-15/h4-6,9-10,18-19H,7-8,11H2,1-3H3,(H,24,27)/t18-,19+/m0/s1
• InChIKey: BAIAXTOHURNCFB-RBUKOAKNSA-N
• XLogP: 3.40
• TPSA: 59.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.44
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 95179345) is N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.

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

The canonical SMILES for N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is Cc1cc2nc(C)c(CCC(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)c(C)n2n1.

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

The InChIKey is BAIAXTOHURNCFB-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-12-9-20-23-13(2)17(14(3)26(20)25-12)7-8-21(27)24-19-11-18(19)15-5-4-6-16(22)10-15/h4-6,9-10,18-19H,7-8,11H2,1-3H3,(H,24,27)/t18-,19+/m0/s1.

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

N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 366.44 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 95179345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).