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

C19H16F3N3O — CID 134047405

IUPACN-methyl-4-pyrazol-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H16F3N3O/c1-24(13-15-5-2-3-6-17(15)19(20,21)22)18(26)14-7-9-16(10-8-14)25-12-4-11-23-25/h2-12H,13H2,1H3
InChIKeyUQACUYSFZXYQSU-UHFFFAOYSA-N
MW359.35 g/mol
LogP4.16
Rot. Bonds4

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

N-methyl-4-pyrazol-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 134047405) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is N-methyl-4-pyrazol-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-pyrazol-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID134047405
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC NameN-methyl-4-pyrazol-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H16F3N3O/c1-24(13-15-5-2-3-6-17(15)19(20,21)22)18(26)14-7-9-16(10-8-14)25-12-4-11-23-25/h2-12H,13H2,1H3
InChIKeyUQACUYSFZXYQSU-UHFFFAOYSA-N
XLogP4.16
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-(pyrazol-1-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 134047303
N-methyl-4-pyrazol-1-yl-N-(thiophen-3-ylmethyl)benzamide
CID 18117310
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylbenzamide
CID 9171384
4-(cyclopropanecarbonylamino)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 134047351
N-methyl-4-(1H-pyrazol-5-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 56882809
N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 134047220
4-pyrazol-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 78885226
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide
CID 134047362
4-(2-hydroxyethylsulfanyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 56896332
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-pyrazol-1-ylbenzamide
CID 9476165
N-benzyl-N-[2-(dimethylamino)ethyl]-4-pyrazol-1-ylbenzamide
CID 78811414
N-methyl-1-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 51112770

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-pyrazol-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of N-methyl-4-pyrazol-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide (CID 134047405) is N-methyl-4-pyrazol-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for N-methyl-4-pyrazol-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for N-methyl-4-pyrazol-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide is CN(Cc1ccccc1C(F)(F)F)C(=O)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-methyl-4-pyrazol-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is UQACUYSFZXYQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/c1-24(13-15-5-2-3-6-17(15)19(20,21)22)18(26)14-7-9-16(10-8-14)25-12-4-11-23-25/h2-12H,13H2,1H3.
What are the key properties of N-methyl-4-pyrazol-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
N-methyl-4-pyrazol-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 359.35 g/mol, XLogP of 4.16, 4 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-yl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 134047405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).