N-(3-methoxyphenyl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide

C22H16F3N3O2S — CID 18832519

IUPACN-(3-methoxyphenyl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCOc1cccc(NC(=O)c2ccc(-n3nc(C(F)(F)F)cc3-c3cccs3)cc2)c1
InChIInChI=1S/C22H16F3N3O2S/c1-30-17-5-2-4-15(12-17)26-21(29)14-7-9-16(10-8-14)28-18(19-6-3-11-31-19)13-20(27-28)22(23,24)25/h2-13H,1H3,(H,26,29)
InChIKeyCJTBMMYFDVRRRC-UHFFFAOYSA-N
MW443.45 g/mol
LogP5.88
Rot. Bonds5

About N-(3-methoxyphenyl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide

N-(3-methoxyphenyl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide (PubChem CID 18832519) has the molecular formula C22H16F3N3O2S and a molecular weight of 443.45 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide
PubChem CID18832519
Molecular FormulaC22H16F3N3O2S
Molecular Weight443.45 g/mol
Exact Mass443.09
IUPAC NameN-(3-methoxyphenyl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCOc1cccc(NC(=O)c2ccc(-n3nc(C(F)(F)F)cc3-c3cccs3)cc2)c1
InChIInChI=1S/C22H16F3N3O2S/c1-30-17-5-2-4-15(12-17)26-21(29)14-7-9-16(10-8-14)28-18(19-6-3-11-31-19)13-20(27-28)22(23,24)25/h2-13H,1H3,(H,26,29)
InChIKeyCJTBMMYFDVRRRC-UHFFFAOYSA-N
XLogP5.88
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.45
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylphenyl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 18832586
2-methylpropyl 4-[[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]benzoate
CID 18832603
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 18832604
N-(2,5-dichlorophenyl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 18832575
1-(3,5-dimethylphenyl)-3-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea
CID 2811557
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-methoxyphenyl)benzamide
CID 26914610
(5-methyl-2-propan-2-ylphenyl) 4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzoate
CID 18832654
4-acetyl-N-(3-methoxyphenyl)benzamide
CID 16640996
N-(3-methoxyphenyl)-4-(6-oxo-3-pyrrolidin-1-ylpyridazin-1-yl)benzamide
CID 50832171
4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-methoxyphenyl)benzamide
CID 59633353
1-(4-chlorophenyl)-N-(3-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46827913
methyl 3-[[4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzoyl]amino]benzoate
CID 68655779

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The IUPAC name of N-(3-methoxyphenyl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide (CID 18832519) is N-(3-methoxyphenyl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide is COc1cccc(NC(=O)c2ccc(-n3nc(C(F)(F)F)cc3-c3cccs3)cc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The InChIKey is CJTBMMYFDVRRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O2S/c1-30-17-5-2-4-15(12-17)26-21(29)14-7-9-16(10-8-14)28-18(19-6-3-11-31-19)13-20(27-28)22(23,24)25/h2-13H,1H3,(H,26,29).
What are the key properties of N-(3-methoxyphenyl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide?
N-(3-methoxyphenyl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide has a molecular weight of 443.45 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide is sourced from PubChem (CID 18832519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).