methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-5-(2-fluorophenyl)pyrazol-1-yl]propyl]carbamate

C24H32FN5O4 — CID 118313150

About methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-5-(2-fluorophenyl)pyrazol-1-yl]propyl]carbamate

methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-5-(2-fluorophenyl)pyrazol-1-yl]propyl]carbamate (PubChem CID 118313150) has the molecular formula C24H32FN5O4 and a molecular weight of 473.55 g/mol. Its IUPAC name is methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-5-(2-fluorophenyl)pyrazol-1-yl]propyl]carbamate.

Molecular Properties

• Compound Name: methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-5-(2-fluorophenyl)pyrazol-1-yl]propyl]carbamate
• PubChem CID: 118313150
• Molecular Formula: C24H32FN5O4
• Molecular Weight: 473.55 g/mol
• Exact Mass: 473.24
• IUPAC Name: methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-5-(2-fluorophenyl)pyrazol-1-yl]propyl]carbamate
• SMILES: COC(=O)NCCCn1nc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc1-c1ccccc1F
• InChI: InChI=1S/C24H32FN5O4/c1-16(30(17-8-9-17)23(31)22-15-26-11-13-34-22)20-14-21(18-6-3-4-7-19(18)25)29(28-20)12-5-10-27-24(32)33-2/h3-4,6-7,14,16-17,22,26H,5,8-13,15H2,1-2H3,(H,27,32)/t16-,22-/m1/s1
• InChIKey: CLGNZEMJYQIJBH-OPAMFIHVSA-N
• XLogP: 2.48
• TPSA: 97.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.55
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-5-(2-fluorophenyl)pyrazol-1-yl]propyl]carbamate?

The IUPAC name of methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-5-(2-fluorophenyl)pyrazol-1-yl]propyl]carbamate (CID 118313150) is methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-5-(2-fluorophenyl)pyrazol-1-yl]propyl]carbamate.

What is the SMILES notation for methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-5-(2-fluorophenyl)pyrazol-1-yl]propyl]carbamate?

The canonical SMILES for methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-5-(2-fluorophenyl)pyrazol-1-yl]propyl]carbamate is COC(=O)NCCCn1nc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc1-c1ccccc1F.

What is the InChIKey of methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-5-(2-fluorophenyl)pyrazol-1-yl]propyl]carbamate?

The InChIKey is CLGNZEMJYQIJBH-OPAMFIHVSA-N. The full InChI is InChI=1S/C24H32FN5O4/c1-16(30(17-8-9-17)23(31)22-15-26-11-13-34-22)20-14-21(18-6-3-4-7-19(18)25)29(28-20)12-5-10-27-24(32)33-2/h3-4,6-7,14,16-17,22,26H,5,8-13,15H2,1-2H3,(H,27,32)/t16-,22-/m1/s1.

What are the key properties of methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-5-(2-fluorophenyl)pyrazol-1-yl]propyl]carbamate?

methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-5-(2-fluorophenyl)pyrazol-1-yl]propyl]carbamate has a molecular weight of 473.55 g/mol, XLogP of 2.48, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-5-(2-fluorophenyl)pyrazol-1-yl]propyl]carbamate is sourced from PubChem (CID 118313150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).