3-(dimethylamino)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide

C18H19N5O — CID 51104194

IUPAC3-(dimethylamino)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide
SMILESCN(C)c1cccc(C(=O)Nc2cnn(Cc3ccccn3)c2)c1
InChIInChI=1S/C18H19N5O/c1-22(2)17-8-5-6-14(10-17)18(24)21-16-11-20-23(13-16)12-15-7-3-4-9-19-15/h3-11,13H,12H2,1-2H3,(H,21,24)
InChIKeyVINMHFFOWUHATA-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.64
Rot. Bonds5

About 3-(dimethylamino)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide

3-(dimethylamino)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide (PubChem CID 51104194) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide
PubChem CID51104194
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name3-(dimethylamino)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide
SMILESCN(C)c1cccc(C(=O)Nc2cnn(Cc3ccccn3)c2)c1
InChIInChI=1S/C18H19N5O/c1-22(2)17-8-5-6-14(10-17)18(24)21-16-11-20-23(13-16)12-15-7-3-4-9-19-15/h3-11,13H,12H2,1-2H3,(H,21,24)
InChIKeyVINMHFFOWUHATA-UHFFFAOYSA-N
XLogP2.64
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(dimethylamino)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 35590668
4-cyclobutyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide
CID 119047349
3-(dimethylamino)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzamide
CID 129356187
2-(3-fluorophenyl)-2-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]propanamide
CID 75372346
3-(dimethylamino)-N-pyridin-3-ylbenzamide
CID 23793187
2-(2-methylthiophen-3-yl)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]acetamide
CID 136534909
3-(dimethylamino)-N-(2-ethoxypyrimidin-5-yl)benzamide
CID 122301989
N-[3-[[3-(dimethylamino)benzoyl]amino]phenyl]pyridine-4-carboxamide
CID 55610611
3-(dimethylamino)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 46427767
3-(2-amino-2-oxoethoxy)-N-(1-benzylpyrazol-4-yl)benzamide
CID 134699731
(2S)-N-(2-ethylphenyl)-2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]propanamide
CID 129398862
1-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1-methyl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]urea
CID 99849044

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide (CID 51104194) is 3-(dimethylamino)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide is CN(C)c1cccc(C(=O)Nc2cnn(Cc3ccccn3)c2)c1.
What is the InChIKey of 3-(dimethylamino)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide?
The InChIKey is VINMHFFOWUHATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-22(2)17-8-5-6-14(10-17)18(24)21-16-11-20-23(13-16)12-15-7-3-4-9-19-15/h3-11,13H,12H2,1-2H3,(H,21,24).
What are the key properties of 3-(dimethylamino)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide?
3-(dimethylamino)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide has a molecular weight of 321.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 51104194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).