4-[(2-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide

C19H18N4O3 — CID 1100740

IUPAC4-[(2-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1c(/N=C/c2ccccc2O)cnn1C
InChIInChI=1S/C19H18N4O3/c1-23-18(19(25)22-14-8-4-6-10-17(14)26-2)15(12-21-23)20-11-13-7-3-5-9-16(13)24/h3-12,24H,1-2H3,(H,22,25)/b20-11+
InChIKeyVZCZPDQJDSDGQM-RGVLZGJSSA-N
MW350.38 g/mol
LogP3.14
Rot. Bonds5

About 4-[(2-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide

4-[(2-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 1100740) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 4-[(2-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
PubChem CID1100740
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name4-[(2-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1c(/N=C/c2ccccc2O)cnn1C
InChIInChI=1S/C19H18N4O3/c1-23-18(19(25)22-14-8-4-6-10-17(14)26-2)15(12-21-23)20-11-13-7-3-5-9-16(13)24/h3-12,24H,1-2H3,(H,22,25)/b20-11+
InChIKeyVZCZPDQJDSDGQM-RGVLZGJSSA-N
XLogP3.14
TPSA88.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.14
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-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-[(2-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide (CID 1100740) is 4-[(2-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[(2-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-[(2-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide is COc1ccccc1NC(=O)c1c(/N=C/c2ccccc2O)cnn1C.
What is the InChIKey of 4-[(2-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is VZCZPDQJDSDGQM-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-23-18(19(25)22-14-8-4-6-10-17(14)26-2)15(12-21-23)20-11-13-7-3-5-9-16(13)24/h3-12,24H,1-2H3,(H,22,25)/b20-11+.
What are the key properties of 4-[(2-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
4-[(2-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 1100740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).