N-(3-fluoro-4-hydroxyphenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C17H10F5N3O2 — CID 171509424

IUPACN-(3-fluoro-4-hydroxyphenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(O)c(F)c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F
InChIInChI=1S/C17H10F5N3O2/c18-9-1-4-11(5-2-9)25-15(17(20,21)22)12(8-23-25)16(27)24-10-3-6-14(26)13(19)7-10/h1-8,26H,(H,24,27)
InChIKeyLBBXGWVRKMZBNG-UHFFFAOYSA-N
MW383.28 g/mol
LogP4.13
Rot. Bonds3

About N-(3-fluoro-4-hydroxyphenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

N-(3-fluoro-4-hydroxyphenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 171509424) has the molecular formula C17H10F5N3O2 and a molecular weight of 383.28 g/mol. Its IUPAC name is N-(3-fluoro-4-hydroxyphenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-hydroxyphenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID171509424
Molecular FormulaC17H10F5N3O2
Molecular Weight383.28 g/mol
Exact Mass383.07
IUPAC NameN-(3-fluoro-4-hydroxyphenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(O)c(F)c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F
InChIInChI=1S/C17H10F5N3O2/c18-9-1-4-11(5-2-9)25-15(17(20,21)22)12(8-23-25)16(27)24-10-3-6-14(26)13(19)7-10/h1-8,26H,(H,24,27)
InChIKeyLBBXGWVRKMZBNG-UHFFFAOYSA-N
XLogP4.13
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-{3-[1-(4-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl]propanamido}benzoic acid
CID 24741307
N-(4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850331
2-(3-(1-(4-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl)-2-methylpropanamido)benzoicacid
CID 11516424
1-(4-methoxyphenyl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 44327058
2-(3-(1-(4-hydroxyphenyl)-1H-pyrazol-4-yl)propanamido)benzoicacid
CID 46890165
N-(5-hydroxy-2-methylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide
CID 118725456
N-(4-methoxyphenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2811267
N-(2-hydroxyphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 25595919
1-(4-fluorophenyl)-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 33949844
(Z)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(4-hydroxyanilino)prop-2-en-1-one
CID 127050793
(Z)-1-(1,3-diphenylpyrazol-4-yl)-3-(4-hydroxyanilino)prop-2-en-1-one
CID 127051687
1-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 2808020

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 171509424) is N-(3-fluoro-4-hydroxyphenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-hydroxyphenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(3-fluoro-4-hydroxyphenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(Nc1ccc(O)c(F)c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F.
What is the InChIKey of N-(3-fluoro-4-hydroxyphenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is LBBXGWVRKMZBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F5N3O2/c18-9-1-4-11(5-2-9)25-15(17(20,21)22)12(8-23-25)16(27)24-10-3-6-14(26)13(19)7-10/h1-8,26H,(H,24,27).
What are the key properties of N-(3-fluoro-4-hydroxyphenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-(3-fluoro-4-hydroxyphenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 383.28 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-hydroxyphenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 171509424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).