N-(1-methylpiperidin-4-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide

C17H19F3N4O — CID 139000751

IUPACN-(1-methylpiperidin-4-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCN1CCC(NC(=O)c2cccc(-n3nccc3C(F)(F)F)c2)CC1
InChIInChI=1S/C17H19F3N4O/c1-23-9-6-13(7-10-23)22-16(25)12-3-2-4-14(11-12)24-15(5-8-21-24)17(18,19)20/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,22,25)
InChIKeyBLHPZTJVXNYMCU-UHFFFAOYSA-N
MW352.36 g/mol
LogP2.72
Rot. Bonds3

About N-(1-methylpiperidin-4-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide

N-(1-methylpiperidin-4-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide (PubChem CID 139000751) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
PubChem CID139000751
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC NameN-(1-methylpiperidin-4-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCN1CCC(NC(=O)c2cccc(-n3nccc3C(F)(F)F)c2)CC1
InChIInChI=1S/C17H19F3N4O/c1-23-9-6-13(7-10-23)22-16(25)12-3-2-4-14(11-12)24-15(5-8-21-24)17(18,19)20/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,22,25)
InChIKeyBLHPZTJVXNYMCU-UHFFFAOYSA-N
XLogP2.72
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methoxyethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 136580010
N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 139000544
N-piperidin-3-yl-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119429223
N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 139002833
N-[2-(methylamino)ethyl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119504361
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119575990
N-(2-amino-2-methylpropyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119630682
N-(2-amino-2-ethylbutyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119643925
N-(4-hydroxy-3-methylphenyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 99703386
(4-aminopiperidin-1-yl)-[3-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone;hydrochloride
CID 122147560
N-(1-amino-2,3-dimethylbutan-2-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119609023
methyl 4-[[3-(5-phenylpyrazol-1-yl)benzoyl]amino]piperidine-1-carboxylate
CID 47897961

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide (CID 139000751) is N-(1-methylpiperidin-4-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide is CN1CCC(NC(=O)c2cccc(-n3nccc3C(F)(F)F)c2)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide?
The InChIKey is BLHPZTJVXNYMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O/c1-23-9-6-13(7-10-23)22-16(25)12-3-2-4-14(11-12)24-15(5-8-21-24)17(18,19)20/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,22,25).
What are the key properties of N-(1-methylpiperidin-4-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide?
N-(1-methylpiperidin-4-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide has a molecular weight of 352.36 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide is sourced from PubChem (CID 139000751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).