N-piperidin-3-yl-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride

C16H18ClF3N4O — CID 119429223

IUPACN-piperidin-3-yl-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
SMILESCl.O=C(NC1CCCNC1)c1cccc(-n2nccc2C(F)(F)F)c1
InChIInChI=1S/C16H17F3N4O.ClH/c17-16(18,19)14-6-8-21-23(14)13-5-1-3-11(9-13)15(24)22-12-4-2-7-20-10-12;/h1,3,5-6,8-9,12,20H,2,4,7,10H2,(H,22,24);1H
InChIKeyMWHZERZAXKOTLJ-UHFFFAOYSA-N
MW374.79 g/mol
LogP2.79
Rot. Bonds3

About N-piperidin-3-yl-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride

N-piperidin-3-yl-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride (PubChem CID 119429223) has the molecular formula C16H18ClF3N4O and a molecular weight of 374.79 g/mol. Its IUPAC name is N-piperidin-3-yl-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-piperidin-3-yl-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
PubChem CID119429223
Molecular FormulaC16H18ClF3N4O
Molecular Weight374.79 g/mol
Exact Mass374.11
IUPAC NameN-piperidin-3-yl-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
SMILESCl.O=C(NC1CCCNC1)c1cccc(-n2nccc2C(F)(F)F)c1
InChIInChI=1S/C16H17F3N4O.ClH/c17-16(18,19)14-6-8-21-23(14)13-5-1-3-11(9-13)15(24)22-12-4-2-7-20-10-12;/h1,3,5-6,8-9,12,20H,2,4,7,10H2,(H,22,24);1H
InChIKeyMWHZERZAXKOTLJ-UHFFFAOYSA-N
XLogP2.79
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.79
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-piperidin-3-yl-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride 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-(2-piperidin-3-ylethyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119559473
N-(1-methylpiperidin-4-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 139000751
N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 139000544
N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 139002833
N-[1-(2-methoxyethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 136580010
N-[2-(methylamino)ethyl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119504361
3-bromo-N-piperidin-3-ylbenzamide
CID 63321592
N-(2-amino-2-methylpropyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119630682
N-piperidin-3-ylbenzamide
CID 22017045
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-piperidin-3-ylbenzamide
CID 119428215
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119575990
3-methylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428145

Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-yl-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride?
The IUPAC name of N-piperidin-3-yl-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride (CID 119429223) is N-piperidin-3-yl-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride.
What is the SMILES notation for N-piperidin-3-yl-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride?
The canonical SMILES for N-piperidin-3-yl-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride is Cl.O=C(NC1CCCNC1)c1cccc(-n2nccc2C(F)(F)F)c1.
What is the InChIKey of N-piperidin-3-yl-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride?
The InChIKey is MWHZERZAXKOTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O.ClH/c17-16(18,19)14-6-8-21-23(14)13-5-1-3-11(9-13)15(24)22-12-4-2-7-20-10-12;/h1,3,5-6,8-9,12,20H,2,4,7,10H2,(H,22,24);1H.
What are the key properties of N-piperidin-3-yl-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride?
N-piperidin-3-yl-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride has a molecular weight of 374.79 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-3-yl-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride is sourced from PubChem (CID 119429223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).