N-[phenyl(pyridin-2-yl)methyl]-4-pyrazol-1-ylbenzamide

C22H18N4O — CID 78799117

IUPACN-[phenyl(pyridin-2-yl)methyl]-4-pyrazol-1-ylbenzamide
SMILESO=C(NC(c1ccccc1)c1ccccn1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C22H18N4O/c27-22(18-10-12-19(13-11-18)26-16-6-15-24-26)25-21(17-7-2-1-3-8-17)20-9-4-5-14-23-20/h1-16,21H,(H,25,27)
InChIKeyFSFLLAYFKAUBIT-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.79
Rot. Bonds5

About N-[phenyl(pyridin-2-yl)methyl]-4-pyrazol-1-ylbenzamide

N-[phenyl(pyridin-2-yl)methyl]-4-pyrazol-1-ylbenzamide (PubChem CID 78799117) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[phenyl(pyridin-2-yl)methyl]-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[phenyl(pyridin-2-yl)methyl]-4-pyrazol-1-ylbenzamide
PubChem CID78799117
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC NameN-[phenyl(pyridin-2-yl)methyl]-4-pyrazol-1-ylbenzamide
SMILESO=C(NC(c1ccccc1)c1ccccn1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C22H18N4O/c27-22(18-10-12-19(13-11-18)26-16-6-15-24-26)25-21(17-7-2-1-3-8-17)20-9-4-5-14-23-20/h1-16,21H,(H,25,27)
InChIKeyFSFLLAYFKAUBIT-UHFFFAOYSA-N
XLogP3.79
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-pyrazol-1-ylbenzamide
CID 51926493
4-(difluoromethylsulfanyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 134025916
6-oxo-N-[(S)-phenyl(pyridin-2-yl)methyl]-1H-pyridine-3-carboxamide
CID 95568756
1-methyl-2-oxo-N-[(R)-phenyl(pyridin-2-yl)methyl]pyridine-4-carboxamide
CID 94001377
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-pyrazol-1-ylbenzamide
CID 8938307
2,3-dimethyl-N-[phenyl(pyridin-2-yl)methyl]quinoxaline-6-carboxamide
CID 134052696
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-4-pyrazol-1-ylbenzamide
CID 17458112
(2S)-4-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]butanoic acid
CID 107821874
(2S)-2-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoic acid
CID 97081236
4-bromo-3-fluoro-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 86851550
3-benzamido-4-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide
CID 51939981
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 25325592

Frequently Asked Questions

What is the IUPAC name of N-[phenyl(pyridin-2-yl)methyl]-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-[phenyl(pyridin-2-yl)methyl]-4-pyrazol-1-ylbenzamide (CID 78799117) is N-[phenyl(pyridin-2-yl)methyl]-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[phenyl(pyridin-2-yl)methyl]-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[phenyl(pyridin-2-yl)methyl]-4-pyrazol-1-ylbenzamide is O=C(NC(c1ccccc1)c1ccccn1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[phenyl(pyridin-2-yl)methyl]-4-pyrazol-1-ylbenzamide?
The InChIKey is FSFLLAYFKAUBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c27-22(18-10-12-19(13-11-18)26-16-6-15-24-26)25-21(17-7-2-1-3-8-17)20-9-4-5-14-23-20/h1-16,21H,(H,25,27).
What are the key properties of N-[phenyl(pyridin-2-yl)methyl]-4-pyrazol-1-ylbenzamide?
N-[phenyl(pyridin-2-yl)methyl]-4-pyrazol-1-ylbenzamide has a molecular weight of 354.41 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl(pyridin-2-yl)methyl]-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 78799117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).