N-methyl-N-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]methyl]-4-(trifluoromethyl)benzamide

C24H19F3N4O — CID 69087224

IUPACN-methyl-N-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]methyl]-4-(trifluoromethyl)benzamide
SMILESCN(Cc1cccc(-c2[nH]ncc2-c2ccncc2)c1)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H19F3N4O/c1-31(23(32)18-5-7-20(8-6-18)24(25,26)27)15-16-3-2-4-19(13-16)22-21(14-29-30-22)17-9-11-28-12-10-17/h2-14H,15H2,1H3,(H,29,30)
InChIKeyDMYLCZVPIBKPTK-UHFFFAOYSA-N
MW436.44 g/mol
LogP5.43
Rot. Bonds5

About N-methyl-N-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]methyl]-4-(trifluoromethyl)benzamide

N-methyl-N-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]methyl]-4-(trifluoromethyl)benzamide (PubChem CID 69087224) has the molecular formula C24H19F3N4O and a molecular weight of 436.44 g/mol. Its IUPAC name is N-methyl-N-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]methyl]-4-(trifluoromethyl)benzamide
PubChem CID69087224
Molecular FormulaC24H19F3N4O
Molecular Weight436.44 g/mol
Exact Mass436.15
IUPAC NameN-methyl-N-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]methyl]-4-(trifluoromethyl)benzamide
SMILESCN(Cc1cccc(-c2[nH]ncc2-c2ccncc2)c1)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H19F3N4O/c1-31(23(32)18-5-7-20(8-6-18)24(25,26)27)15-16-3-2-4-19(13-16)22-21(14-29-30-22)17-9-11-28-12-10-17/h2-14H,15H2,1H3,(H,29,30)
InChIKeyDMYLCZVPIBKPTK-UHFFFAOYSA-N
XLogP5.43
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.44
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone
CID 58302703
N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylbenzamide
CID 68738978
3-(4-pyridin-4-yl-1H-pyrazol-5-yl)aniline;1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 162621799
N-propyl-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide
CID 58302750
2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 151220334
1-(4-tert-butylphenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea
CID 44621736
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridazine-4-carboxamide
CID 29182024
4-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 22037203
N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 78770926
N-methyl-2,3-dioxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,4-dihydroquinoxaline-6-carboxamide
CID 51123670
1-methyl-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea
CID 67185993
4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86932717

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-methyl-N-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]methyl]-4-(trifluoromethyl)benzamide (CID 69087224) is N-methyl-N-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-methyl-N-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-methyl-N-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]methyl]-4-(trifluoromethyl)benzamide is CN(Cc1cccc(-c2[nH]ncc2-c2ccncc2)c1)C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-N-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is DMYLCZVPIBKPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O/c1-31(23(32)18-5-7-20(8-6-18)24(25,26)27)15-16-3-2-4-19(13-16)22-21(14-29-30-22)17-9-11-28-12-10-17/h2-14H,15H2,1H3,(H,29,30).
What are the key properties of N-methyl-N-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]methyl]-4-(trifluoromethyl)benzamide?
N-methyl-N-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 436.44 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 69087224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).