N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyridine-4-carboxamide

C23H20N4O — CID 26117299

IUPACN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyridine-4-carboxamide
SMILESO=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccncc1
InChIInChI=1S/C23H20N4O/c28-23(20-11-13-24-14-12-20)25-15-21-17-27(16-18-7-3-1-4-8-18)26-22(21)19-9-5-2-6-10-19/h1-14,17H,15-16H2,(H,25,28)
InChIKeyBTQUPKJYCWPNJN-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.92
Rot. Bonds6

About N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyridine-4-carboxamide

N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyridine-4-carboxamide (PubChem CID 26117299) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyridine-4-carboxamide
PubChem CID26117299
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC NameN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyridine-4-carboxamide
SMILESO=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccncc1
InChIInChI=1S/C23H20N4O/c28-23(20-11-13-24-14-12-20)25-15-21-17-27(16-18-7-3-1-4-8-18)26-22(21)19-9-5-2-6-10-19/h1-14,17H,15-16H2,(H,25,28)
InChIKeyBTQUPKJYCWPNJN-UHFFFAOYSA-N
XLogP3.92
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyridine-4-carboxamide 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-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 112813528
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide
CID 26117322
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]cyclopropanecarboxamide
CID 17454174
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)benzamide
CID 24668798
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(methanesulfonamido)benzamide
CID 24610626
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-chloro-6-fluorobenzamide
CID 46553209
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-nitrobenzamide
CID 25488874
4-acetyl-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 24616530
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 24610550
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55651831
(2R)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxypropanamide
CID 51966415
N-[(1-benzyl-3-phenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide
CID 4504148

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyridine-4-carboxamide (CID 26117299) is N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyridine-4-carboxamide is O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccncc1.
What is the InChIKey of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyridine-4-carboxamide?
The InChIKey is BTQUPKJYCWPNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c28-23(20-11-13-24-14-12-20)25-15-21-17-27(16-18-7-3-1-4-8-18)26-22(21)19-9-5-2-6-10-19/h1-14,17H,15-16H2,(H,25,28).
What are the key properties of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyridine-4-carboxamide?
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyridine-4-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 26117299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).