2-[3,5-dimethyl-4-[6-(trifluoromethyl)-1H-isoindol-4-yl]pyrazol-1-yl]acetamide

C16H15F3N4O — CID 162099179

IUPAC2-[3,5-dimethyl-4-[6-(trifluoromethyl)-1H-isoindol-4-yl]pyrazol-1-yl]acetamide
SMILESCc1nn(CC(N)=O)c(C)c1-c1cc(C(F)(F)F)cc2c1C=NC2
InChIInChI=1S/C16H15F3N4O/c1-8-15(9(2)23(22-8)7-14(20)24)12-4-11(16(17,18)19)3-10-5-21-6-13(10)12/h3-4,6H,5,7H2,1-2H3,(H2,20,24)
InChIKeyZEQPGFRQSGAVPF-UHFFFAOYSA-N
MW336.32 g/mol
LogP2.60
Rot. Bonds3

About 2-[3,5-dimethyl-4-[6-(trifluoromethyl)-1H-isoindol-4-yl]pyrazol-1-yl]acetamide

2-[3,5-dimethyl-4-[6-(trifluoromethyl)-1H-isoindol-4-yl]pyrazol-1-yl]acetamide (PubChem CID 162099179) has the molecular formula C16H15F3N4O and a molecular weight of 336.32 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-[6-(trifluoromethyl)-1H-isoindol-4-yl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-[6-(trifluoromethyl)-1H-isoindol-4-yl]pyrazol-1-yl]acetamide
PubChem CID162099179
Molecular FormulaC16H15F3N4O
Molecular Weight336.32 g/mol
Exact Mass336.12
IUPAC Name2-[3,5-dimethyl-4-[6-(trifluoromethyl)-1H-isoindol-4-yl]pyrazol-1-yl]acetamide
SMILESCc1nn(CC(N)=O)c(C)c1-c1cc(C(F)(F)F)cc2c1C=NC2
InChIInChI=1S/C16H15F3N4O/c1-8-15(9(2)23(22-8)7-14(20)24)12-4-11(16(17,18)19)3-10-5-21-6-13(10)12/h3-4,6H,5,7H2,1-2H3,(H2,20,24)
InChIKeyZEQPGFRQSGAVPF-UHFFFAOYSA-N
XLogP2.60
TPSA73.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-[6-(trifluoromethyl)-1H-isoindol-4-yl]pyrazol-1-yl]acetamide?
The IUPAC name of 2-[3,5-dimethyl-4-[6-(trifluoromethyl)-1H-isoindol-4-yl]pyrazol-1-yl]acetamide (CID 162099179) is 2-[3,5-dimethyl-4-[6-(trifluoromethyl)-1H-isoindol-4-yl]pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[3,5-dimethyl-4-[6-(trifluoromethyl)-1H-isoindol-4-yl]pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[3,5-dimethyl-4-[6-(trifluoromethyl)-1H-isoindol-4-yl]pyrazol-1-yl]acetamide is Cc1nn(CC(N)=O)c(C)c1-c1cc(C(F)(F)F)cc2c1C=NC2.
What is the InChIKey of 2-[3,5-dimethyl-4-[6-(trifluoromethyl)-1H-isoindol-4-yl]pyrazol-1-yl]acetamide?
The InChIKey is ZEQPGFRQSGAVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O/c1-8-15(9(2)23(22-8)7-14(20)24)12-4-11(16(17,18)19)3-10-5-21-6-13(10)12/h3-4,6H,5,7H2,1-2H3,(H2,20,24).
What are the key properties of 2-[3,5-dimethyl-4-[6-(trifluoromethyl)-1H-isoindol-4-yl]pyrazol-1-yl]acetamide?
2-[3,5-dimethyl-4-[6-(trifluoromethyl)-1H-isoindol-4-yl]pyrazol-1-yl]acetamide has a molecular weight of 336.32 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-[6-(trifluoromethyl)-1H-isoindol-4-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 162099179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).