propan-2-yl N-[[(2S,4S)-4-fluoro-1-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]pyrrolidin-2-yl]methyl]carbamate

C18H23FN4O4 — CID 70708276

About propan-2-yl N-[[(2S,4S)-4-fluoro-1-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]pyrrolidin-2-yl]methyl]carbamate

propan-2-yl N-[[(2S,4S)-4-fluoro-1-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]pyrrolidin-2-yl]methyl]carbamate (PubChem CID 70708276) has the molecular formula C18H23FN4O4 and a molecular weight of 378.40 g/mol. Its IUPAC name is propan-2-yl N-[[(2S,4S)-4-fluoro-1-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]pyrrolidin-2-yl]methyl]carbamate.

Molecular Properties

• Compound Name: propan-2-yl N-[[(2S,4S)-4-fluoro-1-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]pyrrolidin-2-yl]methyl]carbamate
• PubChem CID: 70708276
• Molecular Formula: C18H23FN4O4
• Molecular Weight: 378.40 g/mol
• Exact Mass: 378.17
• IUPAC Name: propan-2-yl N-[[(2S,4S)-4-fluoro-1-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]pyrrolidin-2-yl]methyl]carbamate
• SMILES: CC(C)OC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)c1ccc(Cn2cccn2)o1
• InChI: InChI=1S/C18H23FN4O4/c1-12(2)26-18(25)20-9-14-8-13(19)10-23(14)17(24)16-5-4-15(27-16)11-22-7-3-6-21-22/h3-7,12-14H,8-11H2,1-2H3,(H,20,25)/t13-,14-/m0/s1
• InChIKey: NUWOQNLYDCJTHC-KBPBESRZSA-N
• XLogP: 2.21
• TPSA: 89.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.40
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[[(2S,4S)-4-fluoro-1-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]pyrrolidin-2-yl]methyl]carbamate?

The IUPAC name of propan-2-yl N-[[(2S,4S)-4-fluoro-1-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]pyrrolidin-2-yl]methyl]carbamate (CID 70708276) is propan-2-yl N-[[(2S,4S)-4-fluoro-1-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]pyrrolidin-2-yl]methyl]carbamate.

What is the SMILES notation for propan-2-yl N-[[(2S,4S)-4-fluoro-1-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]pyrrolidin-2-yl]methyl]carbamate?

The canonical SMILES for propan-2-yl N-[[(2S,4S)-4-fluoro-1-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]pyrrolidin-2-yl]methyl]carbamate is CC(C)OC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)c1ccc(Cn2cccn2)o1.

What is the InChIKey of propan-2-yl N-[[(2S,4S)-4-fluoro-1-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]pyrrolidin-2-yl]methyl]carbamate?

The InChIKey is NUWOQNLYDCJTHC-KBPBESRZSA-N. The full InChI is InChI=1S/C18H23FN4O4/c1-12(2)26-18(25)20-9-14-8-13(19)10-23(14)17(24)16-5-4-15(27-16)11-22-7-3-6-21-22/h3-7,12-14H,8-11H2,1-2H3,(H,20,25)/t13-,14-/m0/s1.

What are the key properties of propan-2-yl N-[[(2S,4S)-4-fluoro-1-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]pyrrolidin-2-yl]methyl]carbamate?

propan-2-yl N-[[(2S,4S)-4-fluoro-1-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]pyrrolidin-2-yl]methyl]carbamate has a molecular weight of 378.40 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl N-[[(2S,4S)-4-fluoro-1-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]pyrrolidin-2-yl]methyl]carbamate is sourced from PubChem (CID 70708276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).