N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide

C21H23F3N6O — CID 86883850

IUPACN-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCCN1CCC(n2nccc2NC(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1
InChIInChI=1S/C21H23F3N6O/c1-2-28-12-8-17(9-13-28)30-19(7-11-25-30)26-20(31)15-3-5-16(6-4-15)29-14-10-18(27-29)21(22,23)24/h3-7,10-11,14,17H,2,8-9,12-13H2,1H3,(H,26,31)
InChIKeyFBUVLLFZMYVHFD-UHFFFAOYSA-N
MW432.45 g/mol
LogP4.00
Rot. Bonds5

About N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide

N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide (PubChem CID 86883850) has the molecular formula C21H23F3N6O and a molecular weight of 432.45 g/mol. Its IUPAC name is N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
PubChem CID86883850
Molecular FormulaC21H23F3N6O
Molecular Weight432.45 g/mol
Exact Mass432.19
IUPAC NameN-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCCN1CCC(n2nccc2NC(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1
InChIInChI=1S/C21H23F3N6O/c1-2-28-12-8-17(9-13-28)30-19(7-11-25-30)26-20(31)15-3-5-16(6-4-15)29-14-10-18(27-29)21(22,23)24/h3-7,10-11,14,17H,2,8-9,12-13H2,1H3,(H,26,31)
InChIKeyFBUVLLFZMYVHFD-UHFFFAOYSA-N
XLogP4.00
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-4-[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

4-(aminomethyl)-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide
CID 119836594
2-chloro-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide
CID 24793136
5-amino-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-2-methylbenzamide
CID 120640533
N-(oxan-4-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 71937523
N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-1-benzofuran-3-carboxamide
CID 126775005
5-amino-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-2-methylbenzamide;dihydrochloride
CID 120640532
8-ethyl-3-methyl-2-oxo-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 66550437
N-(2-cyclopentylpyrazol-3-yl)-4-imidazol-1-ylbenzamide
CID 134707115
3-fluoro-N-[2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 25291943
N-[2-(1-ethylsulfonylpiperidin-4-yl)pyrazol-3-yl]-4-methoxybenzamide
CID 29215915
4-methoxy-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 24817414
N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide
CID 51145829

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The IUPAC name of N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide (CID 86883850) is N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide.
What is the SMILES notation for N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The canonical SMILES for N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide is CCN1CCC(n2nccc2NC(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1.
What is the InChIKey of N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The InChIKey is FBUVLLFZMYVHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N6O/c1-2-28-12-8-17(9-13-28)30-19(7-11-25-30)26-20(31)15-3-5-16(6-4-15)29-14-10-18(27-29)21(22,23)24/h3-7,10-11,14,17H,2,8-9,12-13H2,1H3,(H,26,31).
What are the key properties of N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide has a molecular weight of 432.45 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide is sourced from PubChem (CID 86883850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).