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

C19H12ClF6N3O2 — CID 155402424

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide
SMILESCn1nc(-c2ccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2O)cc1C(F)(F)F
InChIInChI=1S/C19H12ClF6N3O2/c1-29-16(19(24,25)26)8-14(28-29)11-4-2-9(6-15(11)30)17(31)27-10-3-5-13(20)12(7-10)18(21,22)23/h2-8,30H,1H3,(H,27,31)
InChIKeyAHNRHNFAXUGJHU-UHFFFAOYSA-N
MW463.77 g/mol
LogP5.74
Rot. Bonds3

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

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide (PubChem CID 155402424) 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-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide
PubChem CID155402424
Molecular FormulaC19H12ClF6N3O2
Molecular Weight463.77 g/mol
Exact Mass463.05
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide
SMILESCn1nc(-c2ccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2O)cc1C(F)(F)F
InChIInChI=1S/C19H12ClF6N3O2/c1-29-16(19(24,25)26)8-14(28-29)11-4-2-9(6-15(11)30)17(31)27-10-3-5-13(20)12(7-10)18(21,22)23/h2-8,30H,1H3,(H,27,31)
InChIKeyAHNRHNFAXUGJHU-UHFFFAOYSA-N
XLogP5.74
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.77
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-difluorophenyl)-2-hydroxy-4-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide
CID 54596413
4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]-N-(3-hydroxy-2-methylphenyl)benzamide
CID 59631888
4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]-N-(4-hydroxy-3-methylphenyl)benzamide
CID 59632508
4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide
CID 59632617
4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]-N-(3-hydroxyphenyl)benzamide
CID 59633021
2-chloro-N-(2-hydroxy-4-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)phenyl)benzamide
CID 67468347
4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]-N-(3-hydroxy-4-methylphenyl)benzamide
CID 68656041
3-chloro-N-[3-[4-(3,3-dimethylbutyl)-1-methylpyrazol-3-yl]-4-hydroxyphenyl]-2-fluorobenzamide
CID 136057224
2-chloro-N-[3-hydroxy-4-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]benzamide
CID 136355368
N-(3-(4-chloro-1-methyl-1H-pyrazol-5-yl)-4-hydroxyphenyl)-3-(trifluoromethyl)benzamide
CID 136387987
4-chloro-N-[3-hydroxy-4-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]benzamide
CID 146433214
4-chloro-N-[3-hydroxy-4-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 155398841

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide (CID 155402424) is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide is Cn1nc(-c2ccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2O)cc1C(F)(F)F.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide?
The InChIKey is AHNRHNFAXUGJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF6N3O2/c1-29-16(19(24,25)26)8-14(28-29)11-4-2-9(6-15(11)30)17(31)27-10-3-5-13(20)12(7-10)18(21,22)23/h2-8,30H,1H3,(H,27,31).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide has a molecular weight of 463.77 g/mol, XLogP of 5.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 155402424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).