N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide

C18H13F4N3O3 — CID 156574687

IUPACN-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
SMILESO=C(NCc1cc(-c2cc(F)ccc2O)n[nH]1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C18H13F4N3O3/c19-10-5-6-15(26)13(7-10)14-8-11(24-25-14)9-23-17(27)12-3-1-2-4-16(12)28-18(20,21)22/h1-8,26H,9H2,(H,23,27)(H,24,25)
InChIKeyWIYZFEMHYUGBII-UHFFFAOYSA-N
MW395.31 g/mol
LogP3.75
Rot. Bonds5

About N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide

N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide (PubChem CID 156574687) has the molecular formula C18H13F4N3O3 and a molecular weight of 395.31 g/mol. Its IUPAC name is N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
PubChem CID156574687
Molecular FormulaC18H13F4N3O3
Molecular Weight395.31 g/mol
Exact Mass395.09
IUPAC NameN-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
SMILESO=C(NCc1cc(-c2cc(F)ccc2O)n[nH]1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C18H13F4N3O3/c19-10-5-6-15(26)13(7-10)14-8-11(24-25-14)9-23-17(27)12-3-1-2-4-16(12)28-18(20,21)22/h1-8,26H,9H2,(H,23,27)(H,24,25)
InChIKeyWIYZFEMHYUGBII-UHFFFAOYSA-N
XLogP3.75
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.31
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide (CID 156574687) is N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide is O=C(NCc1cc(-c2cc(F)ccc2O)n[nH]1)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide?
The InChIKey is WIYZFEMHYUGBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N3O3/c19-10-5-6-15(26)13(7-10)14-8-11(24-25-14)9-23-17(27)12-3-1-2-4-16(12)28-18(20,21)22/h1-8,26H,9H2,(H,23,27)(H,24,25).
What are the key properties of N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide?
N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide has a molecular weight of 395.31 g/mol, XLogP of 3.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 156574687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).