[4-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methylpyrazole-3-carboxylate

C19H16N4O4 — CID 46497376

IUPAC[4-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methylpyrazole-3-carboxylate
SMILESCn1nccc1C(=O)Oc1ccc(/C=N/NC(=O)c2ccccc2O)cc1
InChIInChI=1S/C19H16N4O4/c1-23-16(10-11-21-23)19(26)27-14-8-6-13(7-9-14)12-20-22-18(25)15-4-2-3-5-17(15)24/h2-12,24H,1H3,(H,22,25)/b20-12+
InChIKeyQFHVAGYNZPPLID-UDWIEESQSA-N
MW364.36 g/mol
LogP2.11
Rot. Bonds5

About [4-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methylpyrazole-3-carboxylate

[4-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methylpyrazole-3-carboxylate (PubChem CID 46497376) has the molecular formula C19H16N4O4 and a molecular weight of 364.36 g/mol. Its IUPAC name is [4-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Name[4-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methylpyrazole-3-carboxylate
PubChem CID46497376
Molecular FormulaC19H16N4O4
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC Name[4-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methylpyrazole-3-carboxylate
SMILESCn1nccc1C(=O)Oc1ccc(/C=N/NC(=O)c2ccccc2O)cc1
InChIInChI=1S/C19H16N4O4/c1-23-16(10-11-21-23)19(26)27-14-8-6-13(7-9-14)12-20-22-18(25)15-4-2-3-5-17(15)24/h2-12,24H,1H3,(H,22,25)/b20-12+
InChIKeyQFHVAGYNZPPLID-UDWIEESQSA-N
XLogP2.11
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methylpyrazole-3-carboxylate?
The IUPAC name of [4-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methylpyrazole-3-carboxylate (CID 46497376) is [4-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methylpyrazole-3-carboxylate.
What is the SMILES notation for [4-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methylpyrazole-3-carboxylate?
The canonical SMILES for [4-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methylpyrazole-3-carboxylate is Cn1nccc1C(=O)Oc1ccc(/C=N/NC(=O)c2ccccc2O)cc1.
What is the InChIKey of [4-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methylpyrazole-3-carboxylate?
The InChIKey is QFHVAGYNZPPLID-UDWIEESQSA-N. The full InChI is InChI=1S/C19H16N4O4/c1-23-16(10-11-21-23)19(26)27-14-8-6-13(7-9-14)12-20-22-18(25)15-4-2-3-5-17(15)24/h2-12,24H,1H3,(H,22,25)/b20-12+.
What are the key properties of [4-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methylpyrazole-3-carboxylate?
[4-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methylpyrazole-3-carboxylate has a molecular weight of 364.36 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methylpyrazole-3-carboxylate is sourced from PubChem (CID 46497376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).