N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide

C13H14N4O3 — CID 171983195

IUPACN-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccn(C)n2)cc1O
InChIInChI=1S/C13H14N4O3/c1-17-6-5-10(16-17)13(19)15-14-8-9-3-4-12(20-2)11(18)7-9/h3-8,18H,1-2H3,(H,15,19)/b14-8+
InChIKeyABEQYQLHQDLMLJ-RIYZIHGNSA-N
MW274.28 g/mol
LogP0.90
Rot. Bonds4

About N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide

N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide (PubChem CID 171983195) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide
PubChem CID171983195
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC NameN-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccn(C)n2)cc1O
InChIInChI=1S/C13H14N4O3/c1-17-6-5-10(16-17)13(19)15-14-8-9-3-4-12(20-2)11(18)7-9/h3-8,18H,1-2H3,(H,15,19)/b14-8+
InChIKeyABEQYQLHQDLMLJ-RIYZIHGNSA-N
XLogP0.90
TPSA88.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide
CID 1014815
1-methyl-N-[(4-methylphenyl)methylideneamino]pyrazole-3-carboxamide
CID 725209
1-methyl-N-(pyridin-4-ylmethylideneamino)pyrazole-3-carboxamide
CID 841387
N-[(3-chlorophenyl)methylideneamino]-1-methylpyrazole-3-carboxamide
CID 725244
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylbenzamide
CID 910496
4-N-hydroxy-1-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 44507928
4-chloro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 6870625
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-methylbenzamide
CID 772813
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 141236547
N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 9464971
5-chloro-N-[(3,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 840452
4-(2,2-dimethylpropanoylamino)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 6019682

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide (CID 171983195) is N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide is COc1ccc(/C=N/NC(=O)c2ccn(C)n2)cc1O.
What is the InChIKey of N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide?
The InChIKey is ABEQYQLHQDLMLJ-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-17-6-5-10(16-17)13(19)15-14-8-9-3-4-12(20-2)11(18)7-9/h3-8,18H,1-2H3,(H,15,19)/b14-8+.
What are the key properties of N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide?
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 171983195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).