methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-5-phenylpyrazol-1-yl]-2-fluoropropyl]carbamate

C24H32FN5O4 — CID 118313166

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

methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-5-phenylpyrazol-1-yl]-2-fluoropropyl]carbamate (PubChem CID 118313166) 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-phenylpyrazol-1-yl]-2-fluoropropyl]carbamate.

Molecular Properties

• Compound Name: methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-5-phenylpyrazol-1-yl]-2-fluoropropyl]carbamate
• PubChem CID: 118313166
• 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-phenylpyrazol-1-yl]-2-fluoropropyl]carbamate
• SMILES: COC(=O)NCC(F)Cn1nc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc1-c1ccccc1
• InChI: InChI=1S/C24H32FN5O4/c1-16(30(19-8-9-19)23(31)22-14-26-10-11-34-22)20-12-21(17-6-4-3-5-7-17)29(28-20)15-18(25)13-27-24(32)33-2/h3-7,12,16,18-19,22,26H,8-11,13-15H2,1-2H3,(H,27,32)/t16-,18?,22-/m1/s1
• InChIKey: QNZHGXLQMXJGQG-GOWJYDFKSA-N
• XLogP: 2.28
• 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	2.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-5-phenylpyrazol-1-yl]-2-fluoropropyl]carbamate (CID 118313166) is methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-5-phenylpyrazol-1-yl]-2-fluoropropyl]carbamate.

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

The canonical SMILES for methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-5-phenylpyrazol-1-yl]-2-fluoropropyl]carbamate is COC(=O)NCC(F)Cn1nc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc1-c1ccccc1.

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

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

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

methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-5-phenylpyrazol-1-yl]-2-fluoropropyl]carbamate has a molecular weight of 473.55 g/mol, XLogP of 2.28, 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-phenylpyrazol-1-yl]-2-fluoropropyl]carbamate is sourced from PubChem (CID 118313166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).