1-[(2S,3S)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone

C19H32N4O2 — CID 131689960

About 1-[(2S,3S)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone

1-[(2S,3S)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone (PubChem CID 131689960) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-[(2S,3S)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone.

Molecular Properties

• Compound Name: 1-[(2S,3S)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone
• PubChem CID: 131689960
• Molecular Formula: C19H32N4O2
• Molecular Weight: 348.49 g/mol
• Exact Mass: 348.25
• IUPAC Name: 1-[(2S,3S)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone
• SMILES: CC(C)N(C)CC(=O)N1CC[C@H](OCC2CC2)[C@@H]1Cc1cnn(C)c1
• InChI: InChI=1S/C19H32N4O2/c1-14(2)21(3)12-19(24)23-8-7-18(25-13-15-5-6-15)17(23)9-16-10-20-22(4)11-16/h10-11,14-15,17-18H,5-9,12-13H2,1-4H3/t17-,18-/m0/s1
• InChIKey: YQJQTPKXZAKDRP-ROUUACIJSA-N
• XLogP: 1.70
• TPSA: 50.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.49
LogP ≤ 5	1.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3S)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone?

The IUPAC name of 1-[(2S,3S)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone (CID 131689960) is 1-[(2S,3S)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone.

What is the SMILES notation for 1-[(2S,3S)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone?

The canonical SMILES for 1-[(2S,3S)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone is CC(C)N(C)CC(=O)N1CC[C@H](OCC2CC2)[C@@H]1Cc1cnn(C)c1.

What is the InChIKey of 1-[(2S,3S)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone?

The InChIKey is YQJQTPKXZAKDRP-ROUUACIJSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-14(2)21(3)12-19(24)23-8-7-18(25-13-15-5-6-15)17(23)9-16-10-20-22(4)11-16/h10-11,14-15,17-18H,5-9,12-13H2,1-4H3/t17-,18-/m0/s1.

What are the key properties of 1-[(2S,3S)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone?

1-[(2S,3S)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone has a molecular weight of 348.49 g/mol, XLogP of 1.70, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S,3S)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone is sourced from PubChem (CID 131689960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).