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

C19H12ClF6N3O2 — CID 155402422

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-N-methyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
SMILESCN(C(=O)c1ccc(-c2cc(C(F)(F)F)[nH]n2)c(O)c1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H12ClF6N3O2/c1-29(10-3-5-13(20)12(7-10)18(21,22)23)17(31)9-2-4-11(15(30)6-9)14-8-16(28-27-14)19(24,25)26/h2-8,30H,1H3,(H,27,28)
InChIKeyDLJGSHTWYNSPNF-UHFFFAOYSA-N
MW463.77 g/mol
LogP5.75
Rot. Bonds3

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

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-N-methyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide (PubChem CID 155402422) has the molecular formula C19H12ClF6N3O2 and a molecular weight of 463.77 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-N-methyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-N-methyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
PubChem CID155402422
Molecular FormulaC19H12ClF6N3O2
Molecular Weight463.77 g/mol
Exact Mass463.05
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-N-methyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
SMILESCN(C(=O)c1ccc(-c2cc(C(F)(F)F)[nH]n2)c(O)c1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H12ClF6N3O2/c1-29(10-3-5-13(20)12(7-10)18(21,22)23)17(31)9-2-4-11(15(30)6-9)14-8-16(28-27-14)19(24,25)26/h2-8,30H,1H3,(H,27,28)
InChIKeyDLJGSHTWYNSPNF-UHFFFAOYSA-N
XLogP5.75
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.77
LogP ≤ 55.75
H-Bond Donors ≤ 52
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-(3-chloro-2-methylphenyl)-5-(2-hydroxyphenyl)-1H-pyrazole-3-carboxamide
CID 1847235
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
2-chloro-N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]benzamide
CID 155106306
3-chloro-N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]benzamide
CID 155106378
3-chloro-N-hexyl-N-[3-hydroxy-4-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 155402277
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-N-methyl-4-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide
CID 155402348
3-chloro-N-[3-hydroxy-4-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-N-propyl-4-(trifluoromethyl)benzamide
CID 155402350
5-[[4-chloro-N-methyl-3-(trifluoromethyl)anilino]methyl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 155402351
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide
CID 155402424

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-N-methyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-N-methyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide (CID 155402422) is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-N-methyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-N-methyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-N-methyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide is CN(C(=O)c1ccc(-c2cc(C(F)(F)F)[nH]n2)c(O)c1)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-N-methyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide?
The InChIKey is DLJGSHTWYNSPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF6N3O2/c1-29(10-3-5-13(20)12(7-10)18(21,22)23)17(31)9-2-4-11(15(30)6-9)14-8-16(28-27-14)19(24,25)26/h2-8,30H,1H3,(H,27,28).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-N-methyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-N-methyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide has a molecular weight of 463.77 g/mol, XLogP of 5.75, 3 rotatable bonds, 2 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-N-methyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide is sourced from PubChem (CID 155402422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).