2-[6-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-3-pyridinyl]propan-2-ol

C21H23F2N3O3 — CID 118430522

About 2-[6-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-3-pyridinyl]propan-2-ol

2-[6-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-3-pyridinyl]propan-2-ol (PubChem CID 118430522) has the molecular formula C21H23F2N3O3 and a molecular weight of 403.43 g/mol. Its IUPAC name is 2-[6-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-3-pyridinyl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[6-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-3-pyridinyl]propan-2-ol
• PubChem CID: 118430522
• Molecular Formula: C21H23F2N3O3
• Molecular Weight: 403.43 g/mol
• Exact Mass: 403.17
• IUPAC Name: 2-[6-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-3-pyridinyl]propan-2-ol
• SMILES: Cc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1ccc(C(C)(C)O)cn1
• InChI: InChI=1S/C21H23F2N3O3/c1-12(2)28-20-18(29-19-15(22)7-6-8-16(19)23)13(3)26(25-20)17-10-9-14(11-24-17)21(4,5)27/h6-12,27H,1-5H3
• InChIKey: UXTHTDTWALLXHB-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 69.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.43
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-3-pyridinyl]propan-2-ol?

The IUPAC name of 2-[6-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-3-pyridinyl]propan-2-ol (CID 118430522) is 2-[6-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-3-pyridinyl]propan-2-ol.

What is the SMILES notation for 2-[6-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-3-pyridinyl]propan-2-ol?

The canonical SMILES for 2-[6-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-3-pyridinyl]propan-2-ol is Cc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1ccc(C(C)(C)O)cn1.

What is the InChIKey of 2-[6-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-3-pyridinyl]propan-2-ol?

The InChIKey is UXTHTDTWALLXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O3/c1-12(2)28-20-18(29-19-15(22)7-6-8-16(19)23)13(3)26(25-20)17-10-9-14(11-24-17)21(4,5)27/h6-12,27H,1-5H3.

What are the key properties of 2-[6-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-3-pyridinyl]propan-2-ol?

2-[6-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-3-pyridinyl]propan-2-ol has a molecular weight of 403.43 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 118430522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).