N-(2-hydroxy-2-methylpropyl)-1-methyl-5-[4-(3-methylsulfinylphenyl)-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]phenyl]pyrazole-3-carboxamide

C33H31F3N4O5S — CID 135268012

About N-(2-hydroxy-2-methylpropyl)-1-methyl-5-[4-(3-methylsulfinylphenyl)-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]phenyl]pyrazole-3-carboxamide

N-(2-hydroxy-2-methylpropyl)-1-methyl-5-[4-(3-methylsulfinylphenyl)-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]phenyl]pyrazole-3-carboxamide (PubChem CID 135268012) has the molecular formula C33H31F3N4O5S and a molecular weight of 652.70 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-1-methyl-5-[4-(3-methylsulfinylphenyl)-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]phenyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-hydroxy-2-methylpropyl)-1-methyl-5-[4-(3-methylsulfinylphenyl)-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]phenyl]pyrazole-3-carboxamide
• PubChem CID: 135268012
• Molecular Formula: C33H31F3N4O5S
• Molecular Weight: 652.70 g/mol
• Exact Mass: 652.20
• IUPAC Name: N-(2-hydroxy-2-methylpropyl)-1-methyl-5-[4-(3-methylsulfinylphenyl)-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]phenyl]pyrazole-3-carboxamide
• SMILES: Cc1nc(-c2ccc(OC(F)(F)F)cc2)c(-c2cc(-c3cccc(S(C)=O)c3)ccc2-c2cc(C(=O)NCC(C)(C)O)nn2C)o1
• InChI: InChI=1S/C33H31F3N4O5S/c1-19-38-29(20-9-12-23(13-10-20)45-33(34,35)36)30(44-19)26-16-22(21-7-6-8-24(15-21)46(5)43)11-14-25(26)28-17-27(39-40(28)4)31(41)37-18-32(2,3)42/h6-17,42H,18H2,1-5H3,(H,37,41)
• InChIKey: ZTMNSUGDXDEIJT-UHFFFAOYSA-N
• XLogP: 6.52
• TPSA: 119.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	652.70
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-1-methyl-5-[4-(3-methylsulfinylphenyl)-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]phenyl]pyrazole-3-carboxamide?

The IUPAC name of N-(2-hydroxy-2-methylpropyl)-1-methyl-5-[4-(3-methylsulfinylphenyl)-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]phenyl]pyrazole-3-carboxamide (CID 135268012) is N-(2-hydroxy-2-methylpropyl)-1-methyl-5-[4-(3-methylsulfinylphenyl)-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]phenyl]pyrazole-3-carboxamide.

What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-1-methyl-5-[4-(3-methylsulfinylphenyl)-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]phenyl]pyrazole-3-carboxamide?

The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-1-methyl-5-[4-(3-methylsulfinylphenyl)-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]phenyl]pyrazole-3-carboxamide is Cc1nc(-c2ccc(OC(F)(F)F)cc2)c(-c2cc(-c3cccc(S(C)=O)c3)ccc2-c2cc(C(=O)NCC(C)(C)O)nn2C)o1.

What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-1-methyl-5-[4-(3-methylsulfinylphenyl)-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]phenyl]pyrazole-3-carboxamide?

The InChIKey is ZTMNSUGDXDEIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31F3N4O5S/c1-19-38-29(20-9-12-23(13-10-20)45-33(34,35)36)30(44-19)26-16-22(21-7-6-8-24(15-21)46(5)43)11-14-25(26)28-17-27(39-40(28)4)31(41)37-18-32(2,3)42/h6-17,42H,18H2,1-5H3,(H,37,41).

What are the key properties of N-(2-hydroxy-2-methylpropyl)-1-methyl-5-[4-(3-methylsulfinylphenyl)-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]phenyl]pyrazole-3-carboxamide?

N-(2-hydroxy-2-methylpropyl)-1-methyl-5-[4-(3-methylsulfinylphenyl)-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]phenyl]pyrazole-3-carboxamide has a molecular weight of 652.70 g/mol, XLogP of 6.52, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-hydroxy-2-methylpropyl)-1-methyl-5-[4-(3-methylsulfinylphenyl)-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 135268012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).