4-(3,5-dimethylpyrazol-1-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide

C20H19F3N4O — CID 47829643

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3NCC(F)(F)F)cc2)n1
InChIInChI=1S/C20H19F3N4O/c1-13-11-14(2)27(26-13)16-9-7-15(8-10-16)19(28)25-18-6-4-3-5-17(18)24-12-20(21,22)23/h3-11,24H,12H2,1-2H3,(H,25,28)
InChIKeyWGGFHYZPJQTIQE-UHFFFAOYSA-N
MW388.39 g/mol
LogP4.72
Rot. Bonds5

About 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide

4-(3,5-dimethylpyrazol-1-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide (PubChem CID 47829643) has the molecular formula C20H19F3N4O and a molecular weight of 388.39 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
PubChem CID47829643
Molecular FormulaC20H19F3N4O
Molecular Weight388.39 g/mol
Exact Mass388.15
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3NCC(F)(F)F)cc2)n1
InChIInChI=1S/C20H19F3N4O/c1-13-11-14(2)27(26-13)16-9-7-15(8-10-16)19(28)25-18-6-4-3-5-17(18)24-12-20(21,22)23/h3-11,24H,12H2,1-2H3,(H,25,28)
InChIKeyWGGFHYZPJQTIQE-UHFFFAOYSA-N
XLogP4.72
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide (CID 47829643) is 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide is Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3NCC(F)(F)F)cc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide?
The InChIKey is WGGFHYZPJQTIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O/c1-13-11-14(2)27(26-13)16-9-7-15(8-10-16)19(28)25-18-6-4-3-5-17(18)24-12-20(21,22)23/h3-11,24H,12H2,1-2H3,(H,25,28).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide has a molecular weight of 388.39 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide is sourced from PubChem (CID 47829643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).