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

C25H30FN3O3 — CID 46026533

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

1-[cyclopropyl-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-3-ethoxypropan-2-ol (PubChem CID 46026533) has the molecular formula C25H30FN3O3 and a molecular weight of 439.53 g/mol. Its IUPAC name is 1-[cyclopropyl-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-3-ethoxypropan-2-ol.

Molecular Properties

• Compound Name: 1-[cyclopropyl-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-3-ethoxypropan-2-ol
• PubChem CID: 46026533
• Molecular Formula: C25H30FN3O3
• Molecular Weight: 439.53 g/mol
• Exact Mass: 439.23
• IUPAC Name: 1-[cyclopropyl-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-3-ethoxypropan-2-ol
• SMILES: CCOCC(O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C1CC1
• InChI: InChI=1S/C25H30FN3O3/c1-3-31-17-21(30)15-29(20-11-12-20)16-23-24(18-7-5-4-6-8-18)27-28(2)25(23)32-22-13-9-19(26)10-14-22/h4-10,13-14,20-21,30H,3,11-12,15-17H2,1-2H3
• InChIKey: LFILIOMTRWQYIR-UHFFFAOYSA-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 1-[cyclopropyl-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-3-ethoxypropan-2-ol?

The IUPAC name of 1-[cyclopropyl-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-3-ethoxypropan-2-ol (CID 46026533) is 1-[cyclopropyl-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-3-ethoxypropan-2-ol.

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

The canonical SMILES for 1-[cyclopropyl-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-3-ethoxypropan-2-ol is CCOCC(O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C1CC1.

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

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

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

1-[cyclopropyl-[[5-(4-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 1-[cyclopropyl-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-3-ethoxypropan-2-ol is sourced from PubChem (CID 46026533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).