(3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1,2-oxazol-5-yl]methanol;5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole

C20H20Br2F4N6O3 — CID 164963766

About (3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1,2-oxazol-5-yl]methanol;5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole

(3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1,2-oxazol-5-yl]methanol;5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole (PubChem CID 164963766) has the molecular formula C20H20Br2F4N6O3 and a molecular weight of 628.22 g/mol. Its IUPAC name is (3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1,2-oxazol-5-yl]methanol;5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole.

Molecular Properties

• Compound Name: (3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1,2-oxazol-5-yl]methanol;5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole
• PubChem CID: 164963766
• Molecular Formula: C20H20Br2F4N6O3
• Molecular Weight: 628.22 g/mol
• Exact Mass: 625.99
• IUPAC Name: (3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1,2-oxazol-5-yl]methanol;5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole
• SMILES: Cn1cc(C(O)c2cc(CC(F)F)no2)c(Br)n1.Cn1cc(Cc2cc(CC(F)F)no2)c(Br)n1
• InChI: InChI=1S/C10H10BrF2N3O2.C10H10BrF2N3O/c1-16-4-6(10(11)14-16)9(17)7-2-5(15-18-7)3-8(12)13;1-16-5-6(10(11)14-16)2-8-3-7(15-17-8)4-9(12)13/h2,4,8-9,17H,3H2,1H3;3,5,9H,2,4H2,1H3
• InChIKey: CEPPLTCYCGDDRL-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 107.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	628.22
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1,2-oxazol-5-yl]methanol;5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole?

The IUPAC name of (3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1,2-oxazol-5-yl]methanol;5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole (CID 164963766) is (3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1,2-oxazol-5-yl]methanol;5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole.

What is the SMILES notation for (3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1,2-oxazol-5-yl]methanol;5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole?

The canonical SMILES for (3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1,2-oxazol-5-yl]methanol;5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole is Cn1cc(C(O)c2cc(CC(F)F)no2)c(Br)n1.Cn1cc(Cc2cc(CC(F)F)no2)c(Br)n1.

What is the InChIKey of (3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1,2-oxazol-5-yl]methanol;5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole?

The InChIKey is CEPPLTCYCGDDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2N3O2.C10H10BrF2N3O/c1-16-4-6(10(11)14-16)9(17)7-2-5(15-18-7)3-8(12)13;1-16-5-6(10(11)14-16)2-8-3-7(15-17-8)4-9(12)13/h2,4,8-9,17H,3H2,1H3;3,5,9H,2,4H2,1H3.

What are the key properties of (3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1,2-oxazol-5-yl]methanol;5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole?

(3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1,2-oxazol-5-yl]methanol;5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole has a molecular weight of 628.22 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1,2-oxazol-5-yl]methanol;5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole is sourced from PubChem (CID 164963766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).