1-(2-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

C20H17F4N3O3 — CID 112821430

IUPAC1-(2-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(C(O)CNC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)cc1
InChIInChI=1S/C20H17F4N3O3/c1-30-13-8-6-12(7-9-13)17(28)11-25-19(29)14-10-26-27(18(14)20(22,23)24)16-5-3-2-4-15(16)21/h2-10,17,28H,11H2,1H3,(H,25,29)
InChIKeyZZWLVRXURDUDMD-UHFFFAOYSA-N
MW423.37 g/mol
LogP3.50
Rot. Bonds6

About 1-(2-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(2-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 112821430) has the molecular formula C20H17F4N3O3 and a molecular weight of 423.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID112821430
Molecular FormulaC20H17F4N3O3
Molecular Weight423.37 g/mol
Exact Mass423.12
IUPAC Name1-(2-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(C(O)CNC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)cc1
InChIInChI=1S/C20H17F4N3O3/c1-30-13-8-6-12(7-9-13)17(28)11-25-19(29)14-10-26-27(18(14)20(22,23)24)16-5-3-2-4-15(16)21/h2-10,17,28H,11H2,1H3,(H,25,29)
InChIKeyZZWLVRXURDUDMD-UHFFFAOYSA-N
XLogP3.50
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.37
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55690750
1-(2-fluorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112818169
1-(2-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 122133694
1-(2-fluorophenyl)-N-[3-[2-methoxyethyl(methyl)amino]propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112822501
1-(2-fluorophenyl)-N-[2-(N-methylanilino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112813879
1-(2-fluorophenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112813973
1-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylpyrazole-4-carboxamide
CID 111441239
1-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112824216
1-(2-fluorophenyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112827033
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 43051833
2-[[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-methylamino]propanoic acid
CID 119358426
N-[3-(N-ethylanilino)propyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112813848

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 112821430) is 1-(2-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is COc1ccc(C(O)CNC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is ZZWLVRXURDUDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F4N3O3/c1-30-13-8-6-12(7-9-13)17(28)11-25-19(29)14-10-26-27(18(14)20(22,23)24)16-5-3-2-4-15(16)21/h2-10,17,28H,11H2,1H3,(H,25,29).
What are the key properties of 1-(2-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(2-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 423.37 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 112821430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).