N-(3-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide

C17H19F3N4O — CID 120557791

IUPACN-(3-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCC1CNCCC1NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C17H19F3N4O/c1-11-10-21-7-5-14(11)22-16(25)12-3-2-4-13(9-12)24-8-6-15(23-24)17(18,19)20/h2-4,6,8-9,11,14,21H,5,7,10H2,1H3,(H,22,25)
InChIKeyRTKCZEFYMQZYGY-UHFFFAOYSA-N
MW352.36 g/mol
LogP2.62
Rot. Bonds3

About N-(3-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide

N-(3-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide (PubChem CID 120557791) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
PubChem CID120557791
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC NameN-(3-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCC1CNCCC1NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C17H19F3N4O/c1-11-10-21-7-5-14(11)22-16(25)12-3-2-4-13(9-12)24-8-6-15(23-24)17(18,19)20/h2-4,6,8-9,11,14,21H,5,7,10H2,1H3,(H,22,25)
InChIKeyRTKCZEFYMQZYGY-UHFFFAOYSA-N
XLogP2.62
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 79886276
N-(2-pyrrolidin-3-ylethyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119537660
N-[2-(aminomethyl)cyclopentyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119604762
N-[2-(aminomethyl)cyclohexyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119612152
N-(2-piperidin-3-ylethyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119558997
3-N-(3-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 120555486
N-(3-methylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 79886798
3-(diethylsulfamoyl)-N-(3-methylpiperidin-4-yl)benzamide
CID 120556196
N-(3-methylpiperidin-4-yl)-4-pyrazol-1-ylbenzamide;hydrochloride
CID 120557656
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone;hydrochloride
CID 120657928
4-methyl-4-[[3-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentanoic acid
CID 119357520
N-[(1R,2S)-2-methylcyclohexyl]-3-(tetrazol-1-yl)benzamide
CID 28935459

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The IUPAC name of N-(3-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide (CID 120557791) is N-(3-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide is CC1CNCCC1NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The InChIKey is RTKCZEFYMQZYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O/c1-11-10-21-7-5-14(11)22-16(25)12-3-2-4-13(9-12)24-8-6-15(23-24)17(18,19)20/h2-4,6,8-9,11,14,21H,5,7,10H2,1H3,(H,22,25).
What are the key properties of N-(3-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
N-(3-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide has a molecular weight of 352.36 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide is sourced from PubChem (CID 120557791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).