N-[1-(2,5-dihydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide

C12H12N4O3 — CID 773496

IUPACN-[1-(2,5-dihydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
SMILESCC(=NNC(=O)c1ccn[nH]1)c1cc(O)ccc1O
InChIInChI=1S/C12H12N4O3/c1-7(9-6-8(17)2-3-11(9)18)14-16-12(19)10-4-5-13-15-10/h2-6,17-18H,1H3,(H,13,15)(H,16,19)
InChIKeyMPXOQKJTIBYQRN-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.97
Rot. Bonds3

About N-[1-(2,5-dihydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide

N-[1-(2,5-dihydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide (PubChem CID 773496) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is N-[1-(2,5-dihydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dihydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
PubChem CID773496
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC NameN-[1-(2,5-dihydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
SMILESCC(=NNC(=O)c1ccn[nH]1)c1cc(O)ccc1O
InChIInChI=1S/C12H12N4O3/c1-7(9-6-8(17)2-3-11(9)18)14-16-12(19)10-4-5-13-15-10/h2-6,17-18H,1H3,(H,13,15)(H,16,19)
InChIKeyMPXOQKJTIBYQRN-UHFFFAOYSA-N
XLogP0.97
TPSA110.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

4-bromo-N'-(2-hydroxy-5-methylbenzylidene)-1H-pyrazole-5-carbohydrazide
CID 135459549
4-bromo-N'-[(E)-(2,5-dimethoxyphenyl)methylidene]-1H-pyrazole-5-carbohydrazide
CID 6884363
3-tert-butyl-N'-(2,4-dihydroxybenzylidene)-1H-pyrazole-5-carbohydrazide
CID 135411687
N'-(5-tert-butyl-2-hydroxybenzylidene)-3-methyl-1H-pyrazole-5-carbohydrazide
CID 135473308
N'-((1E)-{2-hydroxy-5-[(E)-phenyldiazenyl]phenyl}methylene)-3-methyl-1H-pyrazole-5-carbohydrazide
CID 135497974
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-[(E)-(2-hydroxy-1-naphthyl)methyleneamino]-1H-pyrazole-5-carboxamide
CID 135400494
N'-(4-Hydroxybenzylidene)-3-isopropyl-1H-pyrazole-5-carbohydrazide
CID 135659464
N'-(2-hydroxybenzylidene)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 135446731
N-[(E)-1-(2-hydroxyphenyl)propylideneamino]pyridazine-4-carboxamide
CID 137306340
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]pyridazine-4-carboxamide
CID 137317379

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dihydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-(2,5-dihydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide (CID 773496) is N-[1-(2,5-dihydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(2,5-dihydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(2,5-dihydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide is CC(=NNC(=O)c1ccn[nH]1)c1cc(O)ccc1O.
What is the InChIKey of N-[1-(2,5-dihydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide?
The InChIKey is MPXOQKJTIBYQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-7(9-6-8(17)2-3-11(9)18)14-16-12(19)10-4-5-13-15-10/h2-6,17-18H,1H3,(H,13,15)(H,16,19).
What are the key properties of N-[1-(2,5-dihydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide?
N-[1-(2,5-dihydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide has a molecular weight of 260.25 g/mol, XLogP of 0.97, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dihydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 773496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).