3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one

C19H25N3O2 — CID 95603605

About 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one

3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 95603605) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
• PubChem CID: 95603605
• Molecular Formula: C19H25N3O2
• Molecular Weight: 327.43 g/mol
• Exact Mass: 327.19
• IUPAC Name: 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
• SMILES: C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC[C@@H]2Cn2cccn2)o1
• InChI: InChI=1S/C19H25N3O2/c1-14-12-17(14)18-7-5-16(24-18)6-8-19(23)22-11-2-4-15(22)13-21-10-3-9-20-21/h3,5,7,9-10,14-15,17H,2,4,6,8,11-13H2,1H3/t14-,15-,17+/m1/s1
• InChIKey: CBCKOYGPHXRESF-INMHGKMJSA-N
• XLogP: 3.22
• TPSA: 51.27 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.43
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one?

The IUPAC name of 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one (CID 95603605) is 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one.

What is the SMILES notation for 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one?

The canonical SMILES for 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one is C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC[C@@H]2Cn2cccn2)o1.

What is the InChIKey of 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one?

The InChIKey is CBCKOYGPHXRESF-INMHGKMJSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-12-17(14)18-7-5-16(24-18)6-8-19(23)22-11-2-4-15(22)13-21-10-3-9-20-21/h3,5,7,9-10,14-15,17H,2,4,6,8,11-13H2,1H3/t14-,15-,17+/m1/s1.

What are the key properties of 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one?

3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 327.43 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 95603605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).