N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide

C18H16N6O2 — CID 135497974

IUPACN-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2cc(/N=N/c3ccccc3)ccc2O)n[nH]1
InChIInChI=1S/C18H16N6O2/c1-12-9-16(23-20-12)18(26)24-19-11-13-10-15(7-8-17(13)25)22-21-14-5-3-2-4-6-14/h2-11,25H,1H3,(H,20,23)(H,24,26)/b19-11+,22-21+
InChIKeyMYRZXWUXBILNBB-ZUBIIHIGSA-N
MW348.37 g/mol
LogP3.60
Rot. Bonds5

About N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide

N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 135497974) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID135497974
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC NameN-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2cc(/N=N/c3ccccc3)ccc2O)n[nH]1
InChIInChI=1S/C18H16N6O2/c1-12-9-16(23-20-12)18(26)24-19-11-13-10-15(7-8-17(13)25)22-21-14-5-3-2-4-6-14/h2-11,25H,1H3,(H,20,23)(H,24,26)/b19-11+,22-21+
InChIKeyMYRZXWUXBILNBB-ZUBIIHIGSA-N
XLogP3.60
TPSA115.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-N'-(1-(3-hydroxyphenyl)ethylidene)-3-(3-nitrophenyl)-1H-pyrazole-5-carbohydrazide
CID 5920316
3-tert-butyl-N'-(2,4-dihydroxybenzylidene)-1H-pyrazole-5-carbohydrazide
CID 135411687
N'-[1-(2-hydroxyphenyl)ethylidene]-3-(3-nitrophenyl)-1H-pyrazole-5-carbohydrazide
CID 135425009
N'-(5-tert-butyl-2-hydroxybenzylidene)-3-methyl-1H-pyrazole-5-carbohydrazide
CID 135473308
3-tert-butyl-N'-[(E)-(2-hydroxyphenyl)methylidene]-1-phenyl-1H-pyrazole-5-carbohydrazide
CID 135497985
N'-[(E)-(2-hydroxy-3-nitrophenyl)methylidene]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 135521412
N'-[(E)-(4-hydroxy-3-nitrophenyl)methylidene]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 135521505
N'-[(Z)-(3,5-DI-Tert-butyl-4-hydroxyphenyl)methylidene]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 135693595
(E)-3-cyclopropyl-N'-(4-hydroxybenzylidene)-1H-pyrazole-5-carbohydrazide
CID 135457660
N'-(4-Hydroxybenzylidene)-3-isopropyl-1H-pyrazole-5-carbohydrazide
CID 135659464
N'-(2-hydroxybenzylidene)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 135446731
N'-[(4-hydroxyphenyl)methylidene]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 135446740

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide (CID 135497974) is N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)N/N=C/c2cc(/N=N/c3ccccc3)ccc2O)n[nH]1.
What is the InChIKey of N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is MYRZXWUXBILNBB-ZUBIIHIGSA-N. The full InChI is InChI=1S/C18H16N6O2/c1-12-9-16(23-20-12)18(26)24-19-11-13-10-15(7-8-17(13)25)22-21-14-5-3-2-4-6-14/h2-11,25H,1H3,(H,20,23)(H,24,26)/b19-11+,22-21+.
What are the key properties of N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 348.37 g/mol, XLogP of 3.60, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 135497974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).