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

C13H12F3N3O — CID 91220940

IUPACN-methyl-4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]benzamide
SMILESCNC(=O)c1ccc(Cc2cn[nH]c2C(F)(F)F)cc1
InChIInChI=1S/C13H12F3N3O/c1-17-12(20)9-4-2-8(3-5-9)6-10-7-18-19-11(10)13(14,15)16/h2-5,7H,6H2,1H3,(H,17,20)(H,18,19)
InChIKeyWJMDIAOSBISABW-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.38
Rot. Bonds3

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

N-methyl-4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]benzamide (PubChem CID 91220940) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is N-methyl-4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]benzamide
PubChem CID91220940
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC NameN-methyl-4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]benzamide
SMILESCNC(=O)c1ccc(Cc2cn[nH]c2C(F)(F)F)cc1
InChIInChI=1S/C13H12F3N3O/c1-17-12(20)9-4-2-8(3-5-9)6-10-7-18-19-11(10)13(14,15)16/h2-5,7H,6H2,1H3,(H,17,20)(H,18,19)
InChIKeyWJMDIAOSBISABW-UHFFFAOYSA-N
XLogP2.38
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]benzoate
CID 91610562
N-methyl-4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methylamino]benzamide
CID 174740416
N-methyl-4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]aniline
CID 91454135
4-benzyl-5-(trifluoromethyl)-1H-pyrazole
CID 121219370
N-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide
CID 43683696
N-methyl-4-(phosphanylmethyl)benzamide
CID 143273405
3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid
CID 22420286
N-methyl-4-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide
CID 42540672
ethane;N-methyl-4-(2-oxopropyl)benzamide
CID 170580328
4-[2-(4-methylsulfanylphenyl)ethyl]-5-(trifluoromethyl)-1H-pyrazole
CID 173079209
N-methyl-4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide
CID 26542056
2-chloro-4-methyl-N-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]benzamide
CID 126827796

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]benzamide?
The IUPAC name of N-methyl-4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]benzamide (CID 91220940) is N-methyl-4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]benzamide is CNC(=O)c1ccc(Cc2cn[nH]c2C(F)(F)F)cc1.
What is the InChIKey of N-methyl-4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]benzamide?
The InChIKey is WJMDIAOSBISABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-17-12(20)9-4-2-8(3-5-9)6-10-7-18-19-11(10)13(14,15)16/h2-5,7H,6H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-methyl-4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]benzamide?
N-methyl-4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]benzamide has a molecular weight of 283.25 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]benzamide is sourced from PubChem (CID 91220940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).