N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide

C11H10N4O3 — CID 135400326

IUPACN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1O)c1ccn[nH]1
InChIInChI=1S/C11H10N4O3/c16-8-2-1-7(10(17)5-8)6-13-15-11(18)9-3-4-12-14-9/h1-6,16-17H,(H,12,14)(H,15,18)/b13-6+
InChIKeyWLMBSAYFTGKJNJ-AWNIVKPZSA-N
MW246.23 g/mol
LogP0.58
Rot. Bonds3

About N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide

N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide (PubChem CID 135400326) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
PubChem CID135400326
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1O)c1ccn[nH]1
InChIInChI=1S/C11H10N4O3/c16-8-2-1-7(10(17)5-8)6-13-15-11(18)9-3-4-12-14-9/h1-6,16-17H,(H,12,14)(H,15,18)/b13-6+
InChIKeyWLMBSAYFTGKJNJ-AWNIVKPZSA-N
XLogP0.58
TPSA110.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', '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

N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 135576680
N-[(Z)-(2-chlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 5391786
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 136728469
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanediamide
CID 135648812
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 137133430
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 135628281
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]butanediamide
CID 135458919
5-cyclopropyl-N-[(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 760814
5-bromo-2-chloro-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 135455727
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-6-carboxamide
CID 155558267
4-acetamido-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 689755
N-(furan-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 768290

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide (CID 135400326) is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide is O=C(N/N=C/c1ccc(O)cc1O)c1ccn[nH]1.
What is the InChIKey of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
The InChIKey is WLMBSAYFTGKJNJ-AWNIVKPZSA-N. The full InChI is InChI=1S/C11H10N4O3/c16-8-2-1-7(10(17)5-8)6-13-15-11(18)9-3-4-12-14-9/h1-6,16-17H,(H,12,14)(H,15,18)/b13-6+.
What are the key properties of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide has a molecular weight of 246.23 g/mol, XLogP of 0.58, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 135400326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).