4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide

C13H14N4O3 — CID 835566

IUPAC4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide
SMILESCOc1cccc(/C=N/c2cnn(C)c2C(N)=O)c1O
InChIInChI=1S/C13H14N4O3/c1-17-11(13(14)19)9(7-16-17)15-6-8-4-3-5-10(20-2)12(8)18/h3-7,18H,1-2H3,(H2,14,19)/b15-6+
InChIKeyMVVLMULLAIEERN-GIDUJCDVSA-N
MW274.28 g/mol
LogP0.98
Rot. Bonds4

About 4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide

4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide (PubChem CID 835566) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide
PubChem CID835566
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide
SMILESCOc1cccc(/C=N/c2cnn(C)c2C(N)=O)c1O
InChIInChI=1S/C13H14N4O3/c1-17-11(13(14)19)9(7-16-17)15-6-8-4-3-5-10(20-2)12(8)18/h3-7,18H,1-2H3,(H2,14,19)/b15-6+
InChIKeyMVVLMULLAIEERN-GIDUJCDVSA-N
XLogP0.98
TPSA102.73 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 ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide (CID 835566) is 4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide is COc1cccc(/C=N/c2cnn(C)c2C(N)=O)c1O.
What is the InChIKey of 4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide?
The InChIKey is MVVLMULLAIEERN-GIDUJCDVSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-17-11(13(14)19)9(7-16-17)15-6-8-4-3-5-10(20-2)12(8)18/h3-7,18H,1-2H3,(H2,14,19)/b15-6+.
What are the key properties of 4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide?
4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 835566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).