2-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-[3-(2-methylphenyl)-1H-pyrazol-5-yl]ethanone

C20H19N3O3 — CID 158052633

IUPAC2-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-[3-(2-methylphenyl)-1H-pyrazol-5-yl]ethanone
SMILESCOc1ccc(/C=N/CC(=O)c2cc(-c3ccccc3C)n[nH]2)cc1O
InChIInChI=1S/C20H19N3O3/c1-13-5-3-4-6-15(13)16-10-17(23-22-16)19(25)12-21-11-14-7-8-20(26-2)18(24)9-14/h3-11,24H,12H2,1-2H3,(H,22,23)/b21-11+
InChIKeyFJQXVXDDWOYCOW-SRZZPIQSSA-N
MW349.39 g/mol
LogP3.40
Rot. Bonds6

About 2-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-[3-(2-methylphenyl)-1H-pyrazol-5-yl]ethanone

2-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-[3-(2-methylphenyl)-1H-pyrazol-5-yl]ethanone (PubChem CID 158052633) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-[3-(2-methylphenyl)-1H-pyrazol-5-yl]ethanone.

Molecular Properties

Compound Name2-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-[3-(2-methylphenyl)-1H-pyrazol-5-yl]ethanone
PubChem CID158052633
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name2-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-[3-(2-methylphenyl)-1H-pyrazol-5-yl]ethanone
SMILESCOc1ccc(/C=N/CC(=O)c2cc(-c3ccccc3C)n[nH]2)cc1O
InChIInChI=1S/C20H19N3O3/c1-13-5-3-4-6-15(13)16-10-17(23-22-16)19(25)12-21-11-14-7-8-20(26-2)18(24)9-14/h3-11,24H,12H2,1-2H3,(H,22,23)/b21-11+
InChIKeyFJQXVXDDWOYCOW-SRZZPIQSSA-N
XLogP3.40
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
CID 1351699
1-[2-(3-chloro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-2-[(3-hydroxy-4-methoxyphenyl)methylideneamino]ethanone
CID 158427346
3-(2-ethoxyphenyl)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 4550121
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-methylbenzamide
CID 772813
ethyl 3-(2-methoxyphenyl)-1H-pyrazole-5-carboxylate
CID 57356240
N-(benzylideneamino)-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 760975
N-[(Z)-(4-ethylphenyl)methylideneamino]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6256744
1-[2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]-2-[(3-hydroxy-4-methoxyphenyl)methylideneamino]ethanone
CID 158922091
3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 156565673
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-(2-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 136700627
5-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]-2-methoxyphenol
CID 5293867
1-[2-(3-chloro-2-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-[(3-hydroxy-4-methoxyphenyl)methylideneamino]ethanone
CID 147899067

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-[3-(2-methylphenyl)-1H-pyrazol-5-yl]ethanone?
The IUPAC name of 2-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-[3-(2-methylphenyl)-1H-pyrazol-5-yl]ethanone (CID 158052633) is 2-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-[3-(2-methylphenyl)-1H-pyrazol-5-yl]ethanone.
What is the SMILES notation for 2-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-[3-(2-methylphenyl)-1H-pyrazol-5-yl]ethanone?
The canonical SMILES for 2-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-[3-(2-methylphenyl)-1H-pyrazol-5-yl]ethanone is COc1ccc(/C=N/CC(=O)c2cc(-c3ccccc3C)n[nH]2)cc1O.
What is the InChIKey of 2-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-[3-(2-methylphenyl)-1H-pyrazol-5-yl]ethanone?
The InChIKey is FJQXVXDDWOYCOW-SRZZPIQSSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-13-5-3-4-6-15(13)16-10-17(23-22-16)19(25)12-21-11-14-7-8-20(26-2)18(24)9-14/h3-11,24H,12H2,1-2H3,(H,22,23)/b21-11+.
What are the key properties of 2-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-[3-(2-methylphenyl)-1H-pyrazol-5-yl]ethanone?
2-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-[3-(2-methylphenyl)-1H-pyrazol-5-yl]ethanone has a molecular weight of 349.39 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-[3-(2-methylphenyl)-1H-pyrazol-5-yl]ethanone is sourced from PubChem (CID 158052633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).