N-methyl-4-(pyrazol-1-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide

C20H18F3N3O — CID 134047303

IUPACN-methyl-4-(pyrazol-1-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C20H18F3N3O/c1-25(14-17-5-2-3-6-18(17)20(21,22)23)19(27)16-9-7-15(8-10-16)13-26-12-4-11-24-26/h2-12H,13-14H2,1H3
InChIKeyZFRSZGHFGQZUAM-UHFFFAOYSA-N
MW373.38 g/mol
LogP4.22
Rot. Bonds5

About N-methyl-4-(pyrazol-1-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide

N-methyl-4-(pyrazol-1-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 134047303) has the molecular formula C20H18F3N3O and a molecular weight of 373.38 g/mol. Its IUPAC name is N-methyl-4-(pyrazol-1-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-(pyrazol-1-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID134047303
Molecular FormulaC20H18F3N3O
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC NameN-methyl-4-(pyrazol-1-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C20H18F3N3O/c1-25(14-17-5-2-3-6-18(17)20(21,22)23)19(27)16-9-7-15(8-10-16)13-26-12-4-11-24-26/h2-12H,13-14H2,1H3
InChIKeyZFRSZGHFGQZUAM-UHFFFAOYSA-N
XLogP4.22
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(pyrazol-1-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of N-methyl-4-(pyrazol-1-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide (CID 134047303) is N-methyl-4-(pyrazol-1-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for N-methyl-4-(pyrazol-1-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for N-methyl-4-(pyrazol-1-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide is CN(Cc1ccccc1C(F)(F)F)C(=O)c1ccc(Cn2cccn2)cc1.
What is the InChIKey of N-methyl-4-(pyrazol-1-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is ZFRSZGHFGQZUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O/c1-25(14-17-5-2-3-6-18(17)20(21,22)23)19(27)16-9-7-15(8-10-16)13-26-12-4-11-24-26/h2-12H,13-14H2,1H3.
What are the key properties of N-methyl-4-(pyrazol-1-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
N-methyl-4-(pyrazol-1-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 373.38 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(pyrazol-1-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 134047303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).