N-[5-tert-butyl-1-(cyclobutylmethyl)pyrazol-3-yl]-2-(2-hydroxy-2-methylpropoxy)-5-(trifluoromethyl)benzamide

C24H32F3N3O3 — CID 140791290

IUPACN-[5-tert-butyl-1-(cyclobutylmethyl)pyrazol-3-yl]-2-(2-hydroxy-2-methylpropoxy)-5-(trifluoromethyl)benzamide
SMILESCC(C)(O)COc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(C(C)(C)C)n(CC2CCC2)n1
InChIInChI=1S/C24H32F3N3O3/c1-22(2,3)19-12-20(29-30(19)13-15-7-6-8-15)28-21(31)17-11-16(24(25,26)27)9-10-18(17)33-14-23(4,5)32/h9-12,15,32H,6-8,13-14H2,1-5H3,(H,28,29,31)
InChIKeyCJJWKNULZRMJEX-UHFFFAOYSA-N
MW467.53 g/mol
LogP5.40
Rot. Bonds7

About N-[5-tert-butyl-1-(cyclobutylmethyl)pyrazol-3-yl]-2-(2-hydroxy-2-methylpropoxy)-5-(trifluoromethyl)benzamide

N-[5-tert-butyl-1-(cyclobutylmethyl)pyrazol-3-yl]-2-(2-hydroxy-2-methylpropoxy)-5-(trifluoromethyl)benzamide (PubChem CID 140791290) has the molecular formula C24H32F3N3O3 and a molecular weight of 467.53 g/mol. Its IUPAC name is N-[5-tert-butyl-1-(cyclobutylmethyl)pyrazol-3-yl]-2-(2-hydroxy-2-methylpropoxy)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-tert-butyl-1-(cyclobutylmethyl)pyrazol-3-yl]-2-(2-hydroxy-2-methylpropoxy)-5-(trifluoromethyl)benzamide
PubChem CID140791290
Molecular FormulaC24H32F3N3O3
Molecular Weight467.53 g/mol
Exact Mass467.24
IUPAC NameN-[5-tert-butyl-1-(cyclobutylmethyl)pyrazol-3-yl]-2-(2-hydroxy-2-methylpropoxy)-5-(trifluoromethyl)benzamide
SMILESCC(C)(O)COc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(C(C)(C)C)n(CC2CCC2)n1
InChIInChI=1S/C24H32F3N3O3/c1-22(2,3)19-12-20(29-30(19)13-15-7-6-8-15)28-21(31)17-11-16(24(25,26)27)9-10-18(17)33-14-23(4,5)32/h9-12,15,32H,6-8,13-14H2,1-5H3,(H,28,29,31)
InChIKeyCJJWKNULZRMJEX-UHFFFAOYSA-N
XLogP5.40
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.53
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-tert-butyl-1-(cyclobutylmethyl)pyrazol-3-yl]-2-(2-hydroxy-2-methylpropoxy)-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-tert-butyl-1-(cyclobutylmethyl)pyrazol-3-yl]-2-(2-hydroxy-2-methylpropoxy)-5-(trifluoromethyl)benzamide (CID 140791290) is N-[5-tert-butyl-1-(cyclobutylmethyl)pyrazol-3-yl]-2-(2-hydroxy-2-methylpropoxy)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-tert-butyl-1-(cyclobutylmethyl)pyrazol-3-yl]-2-(2-hydroxy-2-methylpropoxy)-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-tert-butyl-1-(cyclobutylmethyl)pyrazol-3-yl]-2-(2-hydroxy-2-methylpropoxy)-5-(trifluoromethyl)benzamide is CC(C)(O)COc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(C(C)(C)C)n(CC2CCC2)n1.
What is the InChIKey of N-[5-tert-butyl-1-(cyclobutylmethyl)pyrazol-3-yl]-2-(2-hydroxy-2-methylpropoxy)-5-(trifluoromethyl)benzamide?
The InChIKey is CJJWKNULZRMJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F3N3O3/c1-22(2,3)19-12-20(29-30(19)13-15-7-6-8-15)28-21(31)17-11-16(24(25,26)27)9-10-18(17)33-14-23(4,5)32/h9-12,15,32H,6-8,13-14H2,1-5H3,(H,28,29,31).
What are the key properties of N-[5-tert-butyl-1-(cyclobutylmethyl)pyrazol-3-yl]-2-(2-hydroxy-2-methylpropoxy)-5-(trifluoromethyl)benzamide?
N-[5-tert-butyl-1-(cyclobutylmethyl)pyrazol-3-yl]-2-(2-hydroxy-2-methylpropoxy)-5-(trifluoromethyl)benzamide has a molecular weight of 467.53 g/mol, XLogP of 5.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-tert-butyl-1-(cyclobutylmethyl)pyrazol-3-yl]-2-(2-hydroxy-2-methylpropoxy)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 140791290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).