(2R)-1-[cyclopropyl-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-3-ethoxypropan-2-ol

C25H30FN3O3 — CID 93224266

About (2R)-1-[cyclopropyl-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-3-ethoxypropan-2-ol

(2R)-1-[cyclopropyl-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-3-ethoxypropan-2-ol (PubChem CID 93224266) has the molecular formula C25H30FN3O3 and a molecular weight of 439.53 g/mol. Its IUPAC name is (2R)-1-[cyclopropyl-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-3-ethoxypropan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[cyclopropyl-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-3-ethoxypropan-2-ol
• PubChem CID: 93224266
• Molecular Formula: C25H30FN3O3
• Molecular Weight: 439.53 g/mol
• Exact Mass: 439.23
• IUPAC Name: (2R)-1-[cyclopropyl-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-3-ethoxypropan-2-ol
• SMILES: CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C1CC1
• InChI: InChI=1S/C25H30FN3O3/c1-3-31-17-20(30)15-29(19-13-14-19)16-21-24(18-9-5-4-6-10-18)27-28(2)25(21)32-23-12-8-7-11-22(23)26/h4-12,19-20,30H,3,13-17H2,1-2H3/t20-/m1/s1
• InChIKey: ROGWGTKFZACZGI-HXUWFJFHSA-N
• XLogP: 4.38
• TPSA: 59.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.53
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[cyclopropyl-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-3-ethoxypropan-2-ol?

The IUPAC name of (2R)-1-[cyclopropyl-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-3-ethoxypropan-2-ol (CID 93224266) is (2R)-1-[cyclopropyl-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-3-ethoxypropan-2-ol.

What is the SMILES notation for (2R)-1-[cyclopropyl-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-3-ethoxypropan-2-ol?

The canonical SMILES for (2R)-1-[cyclopropyl-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-3-ethoxypropan-2-ol is CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C1CC1.

What is the InChIKey of (2R)-1-[cyclopropyl-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-3-ethoxypropan-2-ol?

The InChIKey is ROGWGTKFZACZGI-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H30FN3O3/c1-3-31-17-20(30)15-29(19-13-14-19)16-21-24(18-9-5-4-6-10-18)27-28(2)25(21)32-23-12-8-7-11-22(23)26/h4-12,19-20,30H,3,13-17H2,1-2H3/t20-/m1/s1.

What are the key properties of (2R)-1-[cyclopropyl-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-3-ethoxypropan-2-ol?

(2R)-1-[cyclopropyl-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-3-ethoxypropan-2-ol has a molecular weight of 439.53 g/mol, XLogP of 4.38, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[cyclopropyl-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-3-ethoxypropan-2-ol is sourced from PubChem (CID 93224266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).