1-[[5-(3-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-propan-2-ylamino]-3-methoxypropan-2-ol

C24H30FN3O3 — CID 46031893

About 1-[[5-(3-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-propan-2-ylamino]-3-methoxypropan-2-ol

1-[[5-(3-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-propan-2-ylamino]-3-methoxypropan-2-ol (PubChem CID 46031893) has the molecular formula C24H30FN3O3 and a molecular weight of 427.52 g/mol. Its IUPAC name is 1-[[5-(3-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-propan-2-ylamino]-3-methoxypropan-2-ol.

Molecular Properties

• Compound Name: 1-[[5-(3-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-propan-2-ylamino]-3-methoxypropan-2-ol
• PubChem CID: 46031893
• Molecular Formula: C24H30FN3O3
• Molecular Weight: 427.52 g/mol
• Exact Mass: 427.23
• IUPAC Name: 1-[[5-(3-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-propan-2-ylamino]-3-methoxypropan-2-ol
• SMILES: COCC(O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C(C)C
• InChI: InChI=1S/C24H30FN3O3/c1-17(2)27(14-21(29)16-30-4)15-23-18(3)26-28(20-10-6-5-7-11-20)24(23)31-22-12-8-9-19(25)13-22/h5-13,17,21,29H,14-16H2,1-4H3
• InChIKey: QEBJXROQZVOATB-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 59.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.52
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-propan-2-ylamino]-3-methoxypropan-2-ol?

The IUPAC name of 1-[[5-(3-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-propan-2-ylamino]-3-methoxypropan-2-ol (CID 46031893) is 1-[[5-(3-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-propan-2-ylamino]-3-methoxypropan-2-ol.

What is the SMILES notation for 1-[[5-(3-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-propan-2-ylamino]-3-methoxypropan-2-ol?

The canonical SMILES for 1-[[5-(3-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-propan-2-ylamino]-3-methoxypropan-2-ol is COCC(O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C(C)C.

What is the InChIKey of 1-[[5-(3-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-propan-2-ylamino]-3-methoxypropan-2-ol?

The InChIKey is QEBJXROQZVOATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O3/c1-17(2)27(14-21(29)16-30-4)15-23-18(3)26-28(20-10-6-5-7-11-20)24(23)31-22-12-8-9-19(25)13-22/h5-13,17,21,29H,14-16H2,1-4H3.

What are the key properties of 1-[[5-(3-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-propan-2-ylamino]-3-methoxypropan-2-ol?

1-[[5-(3-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-propan-2-ylamino]-3-methoxypropan-2-ol has a molecular weight of 427.52 g/mol, XLogP of 4.33, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-(3-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-propan-2-ylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 46031893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).