4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzamide

C19H20N4O — CID 86809283

IUPAC4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzamide
SMILESNC(=O)c1ccc(CNCc2cnn(Cc3ccccc3)c2)cc1
InChIInChI=1S/C19H20N4O/c20-19(24)18-8-6-15(7-9-18)10-21-11-17-12-22-23(14-17)13-16-4-2-1-3-5-16/h1-9,12,14,21H,10-11,13H2,(H2,20,24)
InChIKeyXXTKZEOZRDVHTE-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.32
Rot. Bonds7

About 4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzamide

4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzamide (PubChem CID 86809283) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzamide.

Molecular Properties

Compound Name4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzamide
PubChem CID86809283
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzamide
SMILESNC(=O)c1ccc(CNCc2cnn(Cc3ccccc3)c2)cc1
InChIInChI=1S/C19H20N4O/c20-19(24)18-8-6-15(7-9-18)10-21-11-17-12-22-23(14-17)13-16-4-2-1-3-5-16/h1-9,12,14,21H,10-11,13H2,(H2,20,24)
InChIKeyXXTKZEOZRDVHTE-UHFFFAOYSA-N
XLogP2.32
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzenesulfonamide
CID 122198913
4-[(1-benzylpyrazol-4-yl)methylamino]butanoic acid
CID 60782827
N'-[(1-benzylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 60888359
(1-benzylpyrazol-4-yl)methylhydrazine
CID 130820345
2-[(1-benzylpyrazol-4-yl)methylamino]ethanol;hydrochloride
CID 54592708
N-[(1-benzylpyrazol-4-yl)methyl]aniline
CID 43503098
4-[[[N-[(1-benzylpyrazol-4-yl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylbenzamide
CID 111873961
N'-[(1-benzylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 55025337
2-[[(1-benzylpyrazol-4-yl)methylamino]methyl]-2-ethylbutanoic acid
CID 122129185
4-[4-[(benzylamino)methyl]phenoxy]benzamide
CID 59730151
3-benzyl-1-[(1-benzylpyrazol-4-yl)methyl]-1-methylurea
CID 24664584
N-[(1-benzylpyrazol-4-yl)methyl]-2-(4-methylphenyl)acetamide
CID 86990135

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzamide?
The IUPAC name of 4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzamide (CID 86809283) is 4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzamide.
What is the SMILES notation for 4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzamide?
The canonical SMILES for 4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzamide is NC(=O)c1ccc(CNCc2cnn(Cc3ccccc3)c2)cc1.
What is the InChIKey of 4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzamide?
The InChIKey is XXTKZEOZRDVHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c20-19(24)18-8-6-15(7-9-18)10-21-11-17-12-22-23(14-17)13-16-4-2-1-3-5-16/h1-9,12,14,21H,10-11,13H2,(H2,20,24).
What are the key properties of 4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzamide?
4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzamide has a molecular weight of 320.40 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzamide is sourced from PubChem (CID 86809283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).