N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide

C18H10ClF6N3O2 — CID 155402475

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(-c2cc(C(F)(F)F)[nH]n2)c(O)c1
InChIInChI=1S/C18H10ClF6N3O2/c19-12-4-2-9(6-11(12)17(20,21)22)26-16(30)8-1-3-10(14(29)5-8)13-7-15(28-27-13)18(23,24)25/h1-7,29H,(H,26,30)(H,27,28)
InChIKeyLEHLSLXPSLXKOE-UHFFFAOYSA-N
MW449.74 g/mol
LogP5.73
Rot. Bonds3

About N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide (PubChem CID 155402475) has the molecular formula C18H10ClF6N3O2 and a molecular weight of 449.74 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
PubChem CID155402475
Molecular FormulaC18H10ClF6N3O2
Molecular Weight449.74 g/mol
Exact Mass449.04
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(-c2cc(C(F)(F)F)[nH]n2)c(O)c1
InChIInChI=1S/C18H10ClF6N3O2/c19-12-4-2-9(6-11(12)17(20,21)22)26-16(30)8-1-3-10(14(29)5-8)13-7-15(28-27-13)18(23,24)25/h1-7,29H,(H,26,30)(H,27,28)
InChIKeyLEHLSLXPSLXKOE-UHFFFAOYSA-N
XLogP5.73
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.74
LogP ≤ 55.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-chloro-2-hydroxyphenyl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 1858336
N-(3-chloro-4-methylphenyl)-5-(2-hydroxyphenyl)-1H-pyrazole-3-carboxamide
CID 2040201
N-(2,5-dimethylphenyl)-5-(2-hydroxy-4-methylphenyl)-1H-pyrazole-3-carboxamide
CID 666577
N-(3-chloro-2-methylphenyl)-5-(2-hydroxyphenyl)-1H-pyrazole-3-carboxamide
CID 1847235
N-(3-chlorophenyl)-3-(2-hydroxy-3-methylphenyl)-1H-pyrazole-5-carboxamide
CID 135652036
3-chloro-N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 155402404
N-(4-chlorophenyl)-5-(2-hydroxy-3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 135577726
N-(4-chlorophenyl)-3-(3,4-dihydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 177650178
5-(2-hydroxy-4,5-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 1860202
5-(2-hydroxy-4,6-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 1977160
5-(2-hydroxy-3-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 135577786
4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]-N-(4-hydroxy-3-methylphenyl)benzamide
CID 59632508

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide (CID 155402475) is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(-c2cc(C(F)(F)F)[nH]n2)c(O)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide?
The InChIKey is LEHLSLXPSLXKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF6N3O2/c19-12-4-2-9(6-11(12)17(20,21)22)26-16(30)8-1-3-10(14(29)5-8)13-7-15(28-27-13)18(23,24)25/h1-7,29H,(H,26,30)(H,27,28).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide has a molecular weight of 449.74 g/mol, XLogP of 5.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide is sourced from PubChem (CID 155402475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).