N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-4-carboxamide

C23H24F3N3O3 — CID 166010575

IUPACN-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-4-carboxamide
SMILESCc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cnn(C)c1
InChIInChI=1S/C23H24F3N3O3/c1-16-5-3-4-6-17(16)13-29(22(31)18-11-27-28(2)12-18)14-20(30)15-32-21-9-7-19(8-10-21)23(24,25)26/h3-12,20,30H,13-15H2,1-2H3
InChIKeyGQEXRZWJVOZBSG-UHFFFAOYSA-N
MW447.46 g/mol
LogP3.83
Rot. Bonds8

About N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-4-carboxamide

N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-4-carboxamide (PubChem CID 166010575) has the molecular formula C23H24F3N3O3 and a molecular weight of 447.46 g/mol. Its IUPAC name is N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-4-carboxamide
PubChem CID166010575
Molecular FormulaC23H24F3N3O3
Molecular Weight447.46 g/mol
Exact Mass447.18
IUPAC NameN-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-4-carboxamide
SMILESCc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cnn(C)c1
InChIInChI=1S/C23H24F3N3O3/c1-16-5-3-4-6-17(16)13-29(22(31)18-11-27-28(2)12-18)14-20(30)15-32-21-9-7-19(8-10-21)23(24,25)26/h3-12,20,30H,13-15H2,1-2H3
InChIKeyGQEXRZWJVOZBSG-UHFFFAOYSA-N
XLogP3.83
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-4-carboxamide (CID 166010575) is N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-4-carboxamide is Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cnn(C)c1.
What is the InChIKey of N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is GQEXRZWJVOZBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O3/c1-16-5-3-4-6-17(16)13-29(22(31)18-11-27-28(2)12-18)14-20(30)15-32-21-9-7-19(8-10-21)23(24,25)26/h3-12,20,30H,13-15H2,1-2H3.
What are the key properties of N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-4-carboxamide?
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 447.46 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 166010575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).