3-fluoro-N-[2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide

C23H22F4N4O — CID 25291943

IUPAC3-fluoro-N-[2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccnn1C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1cccc(F)c1
InChIInChI=1S/C23H22F4N4O/c24-19-3-1-2-17(14-19)22(32)29-21-8-11-28-31(21)20-9-12-30(13-10-20)15-16-4-6-18(7-5-16)23(25,26)27/h1-8,11,14,20H,9-10,12-13,15H2,(H,29,32)
InChIKeyUVGXPAJUPHTJPF-UHFFFAOYSA-N
MW446.45 g/mol
LogP5.13
Rot. Bonds5

About 3-fluoro-N-[2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide

3-fluoro-N-[2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 25291943) has the molecular formula C23H22F4N4O and a molecular weight of 446.45 g/mol. Its IUPAC name is 3-fluoro-N-[2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID25291943
Molecular FormulaC23H22F4N4O
Molecular Weight446.45 g/mol
Exact Mass446.17
IUPAC Name3-fluoro-N-[2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccnn1C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1cccc(F)c1
InChIInChI=1S/C23H22F4N4O/c24-19-3-1-2-17(14-19)22(32)29-21-8-11-28-31(21)20-9-12-30(13-10-20)15-16-4-6-18(7-5-16)23(25,26)27/h1-8,11,14,20H,9-10,12-13,15H2,(H,29,32)
InChIKeyUVGXPAJUPHTJPF-UHFFFAOYSA-N
XLogP5.13
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.45
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-N-[2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-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-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide
CID 24791290
N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide
CID 42302028
N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 42211407
3-fluoro-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide
CID 24791274
3-fluoro-N-[2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide
CID 42291969
3-fluoro-N-[2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 25366302
N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide
CID 42194902
3-fluoro-N-[2-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 42528747
3-fluoro-N-[2-[1-[[5-(2-methylpropyl)pyrazolidin-3-yl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 74812362
3-fluoro-N-[2-[1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 74775014
N-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide
CID 25375251
3-fluoro-N-[2-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
CID 42150716

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 3-fluoro-N-[2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (CID 25291943) is 3-fluoro-N-[2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is O=C(Nc1ccnn1C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is UVGXPAJUPHTJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F4N4O/c24-19-3-1-2-17(14-19)22(32)29-21-8-11-28-31(21)20-9-12-30(13-10-20)15-16-4-6-18(7-5-16)23(25,26)27/h1-8,11,14,20H,9-10,12-13,15H2,(H,29,32).
What are the key properties of 3-fluoro-N-[2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
3-fluoro-N-[2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 446.45 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 25291943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).