N-methyl-N-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]-4-(trifluoromethyl)benzamide

C24H20F3N3O2S — CID 93131251

IUPACN-methyl-N-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]-4-(trifluoromethyl)benzamide
SMILESCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H20F3N3O2S/c1-29(23(32)17-9-11-18(12-10-17)24(25,26)27)15-22(31)30-20(16-6-3-2-4-7-16)14-19(28-30)21-8-5-13-33-21/h2-13,20H,14-15H2,1H3/t20-/m1/s1
InChIKeyNLSUONYFUZRMLP-HXUWFJFHSA-N
MW471.50 g/mol
LogP5.22
Rot. Bonds5

About N-methyl-N-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]-4-(trifluoromethyl)benzamide

N-methyl-N-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 93131251) has the molecular formula C24H20F3N3O2S and a molecular weight of 471.50 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]-4-(trifluoromethyl)benzamide
PubChem CID93131251
Molecular FormulaC24H20F3N3O2S
Molecular Weight471.50 g/mol
Exact Mass471.12
IUPAC NameN-methyl-N-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]-4-(trifluoromethyl)benzamide
SMILESCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H20F3N3O2S/c1-29(23(32)17-9-11-18(12-10-17)24(25,26)27)15-22(31)30-20(16-6-3-2-4-7-16)14-19(28-30)21-8-5-13-33-21/h2-13,20H,14-15H2,1H3/t20-/m1/s1
InChIKeyNLSUONYFUZRMLP-HXUWFJFHSA-N
XLogP5.22
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.50
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-methyl-N-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]benzamide
CID 93131261
N-[2-[(3S)-5-(3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 93133711
N-[2-[(3S)-3-(2-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methoxy-N-methylbenzamide
CID 93129823
N-[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)-4-(trifluoromethyl)benzamide
CID 93131200
N-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N,3,3-trimethylbutanamide
CID 83283587
N-[2-[(3S)-3-(1,3-benzodioxol-5-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methoxy-N-methylbenzamide
CID 93131386
3-(2-methoxyphenyl)-1-methyl-1-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]urea
CID 93131631
N-(2-methoxyethyl)-N-[2-[3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 51067698
N-[2-[(3R)-3-(2-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-fluoro-N-methylbenzamide
CID 93131011
N-[2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-fluoro-N-methylbenzamide
CID 51067685
2,2-dimethyl-1-[(3S)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one
CID 30797901
N-methyl-N-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]cyclopentanecarboxamide
CID 51067508

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-methyl-N-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]-4-(trifluoromethyl)benzamide (CID 93131251) is N-methyl-N-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]-4-(trifluoromethyl)benzamide is CN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1)C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-N-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is NLSUONYFUZRMLP-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H20F3N3O2S/c1-29(23(32)17-9-11-18(12-10-17)24(25,26)27)15-22(31)30-20(16-6-3-2-4-7-16)14-19(28-30)21-8-5-13-33-21/h2-13,20H,14-15H2,1H3/t20-/m1/s1.
What are the key properties of N-methyl-N-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]-4-(trifluoromethyl)benzamide?
N-methyl-N-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 471.50 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 93131251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).