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

C19H12ClF6N3O2 — CID 155398841

IUPAC4-chloro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1O
InChIInChI=1S/C19H12ClF6N3O2/c1-29-14(8-16(28-29)19(24,25)26)11-4-3-10(7-15(11)30)27-17(31)9-2-5-13(20)12(6-9)18(21,22)23/h2-8,30H,1H3,(H,27,31)
InChIKeyCMOLGOUKNMGKOT-UHFFFAOYSA-N
MW463.77 g/mol
LogP5.74
Rot. Bonds3

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

4-chloro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 155398841) has the molecular formula C19H12ClF6N3O2 and a molecular weight of 463.77 g/mol. Its IUPAC name is 4-chloro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID155398841
Molecular FormulaC19H12ClF6N3O2
Molecular Weight463.77 g/mol
Exact Mass463.05
IUPAC Name4-chloro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1O
InChIInChI=1S/C19H12ClF6N3O2/c1-29-14(8-16(28-29)19(24,25)26)11-4-3-10(7-15(11)30)27-17(31)9-2-5-13(20)12(6-9)18(21,22)23/h2-8,30H,1H3,(H,27,31)
InChIKeyCMOLGOUKNMGKOT-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-(1,2,3-benzothiadiazol-5-yl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide
CID 54596474
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-iodobenzamide
CID 1221652
2-(2,6-dioxopiperidin-3-yl)-N-[[4-[[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]carbamoyl]phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide
CID 168863631
4-chloro-N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide
CID 143174015
4-chloro-N-(3-chlorophenyl)-3-(trifluoromethyl)benzamide
CID 154268338
2,4-difluoro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide
CID 90393863
4-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-methyl-1,2-thiazole-3-carboxamide
CID 90393685
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide
CID 55616979
2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
CID 4036144
3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 44871489
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 1244398
4-methyl-N-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-pyridinyl]benzamide
CID 58487503

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-chloro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-(trifluoromethyl)benzamide (CID 155398841) is 4-chloro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-chloro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-chloro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-(trifluoromethyl)benzamide is Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1O.
What is the InChIKey of 4-chloro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is CMOLGOUKNMGKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF6N3O2/c1-29-14(8-16(28-29)19(24,25)26)11-4-3-10(7-15(11)30)27-17(31)9-2-5-13(20)12(6-9)18(21,22)23/h2-8,30H,1H3,(H,27,31).
What are the key properties of 4-chloro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-(trifluoromethyl)benzamide?
4-chloro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-(trifluoromethyl)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 4-chloro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 155398841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).