N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide

C19H18N4O2 — CID 6890194

IUPACN-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide
SMILESCc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1ccccc1O
InChIInChI=1S/C19H18N4O2/c1-13-17(14(2)23(22-13)15-8-4-3-5-9-15)12-20-21-19(25)16-10-6-7-11-18(16)24/h3-12,24H,1-2H3,(H,21,25)/b20-12+
InChIKeyLIEJKIRUKKNCHF-UDWIEESQSA-N
MW334.38 g/mol
LogP2.96
Rot. Bonds4

About N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide

N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide (PubChem CID 6890194) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide
PubChem CID6890194
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide
SMILESCc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1ccccc1O
InChIInChI=1S/C19H18N4O2/c1-13-17(14(2)23(22-13)15-8-4-3-5-9-15)12-20-21-19(25)16-10-6-7-11-18(16)24/h3-12,24H,1-2H3,(H,21,25)/b20-12+
InChIKeyLIEJKIRUKKNCHF-UDWIEESQSA-N
XLogP2.96
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide (CID 6890194) is N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide is Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1ccccc1O.
What is the InChIKey of N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide?
The InChIKey is LIEJKIRUKKNCHF-UDWIEESQSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13-17(14(2)23(22-13)15-8-4-3-5-9-15)12-20-21-19(25)16-10-6-7-11-18(16)24/h3-12,24H,1-2H3,(H,21,25)/b20-12+.
What are the key properties of N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide?
N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide has a molecular weight of 334.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 6890194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).