3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide

C19H20N4O2 — CID 135541142

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
SMILESCc1cc(C)n(CCC(=O)N/N=C/c2c(O)ccc3ccccc23)n1
InChIInChI=1S/C19H20N4O2/c1-13-11-14(2)23(22-13)10-9-19(25)21-20-12-17-16-6-4-3-5-15(16)7-8-18(17)24/h3-8,11-12,24H,9-10H2,1-2H3,(H,21,25)/b20-12+
InChIKeyIOCGUKOUGPGNMV-UDWIEESQSA-N
MW336.39 g/mol
LogP2.90
Rot. Bonds5

About 3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide

3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide (PubChem CID 135541142) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
PubChem CID135541142
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
SMILESCc1cc(C)n(CCC(=O)N/N=C/c2c(O)ccc3ccccc23)n1
InChIInChI=1S/C19H20N4O2/c1-13-11-14(2)23(22-13)10-9-19(25)21-20-12-17-16-6-4-3-5-15(16)7-8-18(17)24/h3-8,11-12,24H,9-10H2,1-2H3,(H,21,25)/b20-12+
InChIKeyIOCGUKOUGPGNMV-UDWIEESQSA-N
XLogP2.90
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]-1-methyl-1H-pyrazole-5-carbohydrazide
CID 135550918
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-[(E)-(2-hydroxyphenyl)methylidene]propanehydrazide
CID 135517054
N'-[(E)-(2,4-dihydroxyphenyl)methylidene]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanehydrazide
CID 135517055
1-{[(1,3,5-trimethyl-1H-pyrazol-4-yl)imino]methyl}-2-naphthol
CID 780497
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-[(E)-(4-hydroxyphenyl)methylidene]propanehydrazide
CID 135517079
3-(1H-1,2,3-Benzotriazol-1-YL)-N'-((2-HO-1-naphthyl)methylene)propanohydrazide
CID 135479309
4-bromo-N'-[(2-hydroxy-1-naphthyl)methylene]-1,5-dimethyl-1H-pyrazole-3-carbohydrazide
CID 135533649
4-Iodo-1-methyl-1H-pyrazole-3-carboxylic acid (2-hydroxy-naphthalen-1-ylmethylene)-hydrazide
CID 135537502
3-(1H-1,2,3-Benzotriazol-1-YL)-N'-[(Z)-(2-hydroxynaphthalen-1-YL)methylidene]propanehydrazide
CID 135899803
N'-[(2-hydroxy-1-naphthyl)methylene]-2-(3-methyl-1H-pyrazol-1-yl)acetohydrazide
CID 135533788
3-[2-(3-Ethyl-1-methylpyrazol-5-yl)ethyl]-6-fluoronaphthalen-1-ol
CID 168854421
2-(1H-1,2,3-Benzotriazol-1-YL)-N'-[(E)-(2-hydroxynaphthalen-1-YL)methylidene]acetohydrazide
CID 135804458

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide (CID 135541142) is 3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide is Cc1cc(C)n(CCC(=O)N/N=C/c2c(O)ccc3ccccc23)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide?
The InChIKey is IOCGUKOUGPGNMV-UDWIEESQSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-11-14(2)23(22-13)10-9-19(25)21-20-12-17-16-6-4-3-5-15(16)7-8-18(17)24/h3-8,11-12,24H,9-10H2,1-2H3,(H,21,25)/b20-12+.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide?
3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide has a molecular weight of 336.39 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide is sourced from PubChem (CID 135541142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).