3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]benzamide

C19H19N5O — CID 6874623

IUPAC3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]benzamide
SMILESCc1cc(C)n(Cc2cccc(C(=O)N/N=C/c3cccnc3)c2)n1
InChIInChI=1S/C19H19N5O/c1-14-9-15(2)24(23-14)13-16-5-3-7-18(10-16)19(25)22-21-12-17-6-4-8-20-11-17/h3-12H,13H2,1-2H3,(H,22,25)/b21-12+
InChIKeyVEDZRRLGAXESGV-CIAFOILYSA-N
MW333.40 g/mol
LogP2.71
Rot. Bonds5

About 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]benzamide

3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]benzamide (PubChem CID 6874623) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]benzamide
PubChem CID6874623
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]benzamide
SMILESCc1cc(C)n(Cc2cccc(C(=O)N/N=C/c3cccnc3)c2)n1
InChIInChI=1S/C19H19N5O/c1-14-9-15(2)24(23-14)13-16-5-3-7-18(10-16)19(25)22-21-12-17-6-4-8-20-11-17/h3-12H,13H2,1-2H3,(H,22,25)/b21-12+
InChIKeyVEDZRRLGAXESGV-CIAFOILYSA-N
XLogP2.71
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-Phenyl-3-(pyridin-3-yl)-1H-pyrazole-4-carbaldehyde
CID 877232
N-[(E)-pyridin-2-ylmethylideneamino]benzamide
CID 5333835
N'-[1-(2-pyridinyl)ethylidene]-1-naphthohydrazide
CID 9618012
1H-Pyrazole, 3,5-dimethyl-1-(4-pyridinylcarbonyl)-
CID 645025
N'-((E,2E)-2-Methyl-3-phenyl-2-propenylidene)-3-(1-methyl-1H-pyrrol-2-YL)-1H-pyrazole-5-carbohydrazide
CID 6869472
3-Ethyl-4-methyl-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6872295
Di-2-pyridyl ketone benzoylhydrazone
CID 688285
N-[4-(5-Ethyl-3-Pyridin-3-Yl-1h-Pyrazol-1-Yl)phenyl]pyridine-3-Carboxamide
CID 9820664
5-[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1H-isoindol-1-one
CID 25093327
N,N-dimethyl-4-(4-phenyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 1473242
14-Amino-5-(1-methylpyrazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one
CID 16036535
1-methyl-N'-(4-pyridinylmethylene)-1H-pyrazole-3-carbohydrazide
CID 5412145

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]benzamide?
The IUPAC name of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]benzamide (CID 6874623) is 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]benzamide.
What is the SMILES notation for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]benzamide?
The canonical SMILES for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]benzamide is Cc1cc(C)n(Cc2cccc(C(=O)N/N=C/c3cccnc3)c2)n1.
What is the InChIKey of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]benzamide?
The InChIKey is VEDZRRLGAXESGV-CIAFOILYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-14-9-15(2)24(23-14)13-16-5-3-7-18(10-16)19(25)22-21-12-17-6-4-8-20-11-17/h3-12H,13H2,1-2H3,(H,22,25)/b21-12+.
What are the key properties of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]benzamide?
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]benzamide has a molecular weight of 333.40 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]benzamide is sourced from PubChem (CID 6874623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).