N-[(2-hydroxyphenyl)methylideneamino]-5-oxo-1,4-dihydropyrazole-4-carboxamide

C11H10N4O3 — CID 3489398

IUPACN-[(2-hydroxyphenyl)methylideneamino]-5-oxo-1,4-dihydropyrazole-4-carboxamide
SMILESO=C(NN=Cc1ccccc1O)C1C=NNC1=O
InChIInChI=1S/C11H10N4O3/c16-9-4-2-1-3-7(9)5-12-14-10(17)8-6-13-15-11(8)18/h1-6,8,16H,(H,14,17)(H,15,18)
InChIKeyYKCPEXZFPFKLLC-UHFFFAOYSA-N
MW246.23 g/mol
LogP-0.43
Rot. Bonds3

About N-[(2-hydroxyphenyl)methylideneamino]-5-oxo-1,4-dihydropyrazole-4-carboxamide

N-[(2-hydroxyphenyl)methylideneamino]-5-oxo-1,4-dihydropyrazole-4-carboxamide (PubChem CID 3489398) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methylideneamino]-5-oxo-1,4-dihydropyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methylideneamino]-5-oxo-1,4-dihydropyrazole-4-carboxamide
PubChem CID3489398
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC NameN-[(2-hydroxyphenyl)methylideneamino]-5-oxo-1,4-dihydropyrazole-4-carboxamide
SMILESO=C(NN=Cc1ccccc1O)C1C=NNC1=O
InChIInChI=1S/C11H10N4O3/c16-9-4-2-1-3-7(9)5-12-14-10(17)8-6-13-15-11(8)18/h1-6,8,16H,(H,14,17)(H,15,18)
InChIKeyYKCPEXZFPFKLLC-UHFFFAOYSA-N
XLogP-0.43
TPSA103.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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

(4S)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-oxo-1,4-dihydropyrazole-4-carboxamide
CID 136886787
(4S)-N-[(Z)-(3-bromophenyl)methylideneamino]-5-oxo-1,4-dihydropyrazole-4-carboxamide
CID 98155129
1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]cyclohexane-1,4-dicarboxamide
CID 135977022
N-[(2-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
CID 5150269
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564
N-[(E)-(2-hydroxyphenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 135504408
N-[(2-hydroxyphenyl)methylideneamino]bicyclo[6.1.0]nonane-9-carboxamide
CID 136914428
(1R,2S,4R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 135932849
N-[(2-hydroxyphenyl)methylideneamino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 3388586
(1S,2R,4S)-N-[(E)-(2-hydroxyphenyl)methylideneamino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 135850503
N-[(2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyrimidine-5-carboxamide
CID 3641500
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-oxo-1H-pyridine-3-carboxamide
CID 137104191

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methylideneamino]-5-oxo-1,4-dihydropyrazole-4-carboxamide?
The IUPAC name of N-[(2-hydroxyphenyl)methylideneamino]-5-oxo-1,4-dihydropyrazole-4-carboxamide (CID 3489398) is N-[(2-hydroxyphenyl)methylideneamino]-5-oxo-1,4-dihydropyrazole-4-carboxamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methylideneamino]-5-oxo-1,4-dihydropyrazole-4-carboxamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methylideneamino]-5-oxo-1,4-dihydropyrazole-4-carboxamide is O=C(NN=Cc1ccccc1O)C1C=NNC1=O.
What is the InChIKey of N-[(2-hydroxyphenyl)methylideneamino]-5-oxo-1,4-dihydropyrazole-4-carboxamide?
The InChIKey is YKCPEXZFPFKLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c16-9-4-2-1-3-7(9)5-12-14-10(17)8-6-13-15-11(8)18/h1-6,8,16H,(H,14,17)(H,15,18).
What are the key properties of N-[(2-hydroxyphenyl)methylideneamino]-5-oxo-1,4-dihydropyrazole-4-carboxamide?
N-[(2-hydroxyphenyl)methylideneamino]-5-oxo-1,4-dihydropyrazole-4-carboxamide has a molecular weight of 246.23 g/mol, XLogP of -0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methylideneamino]-5-oxo-1,4-dihydropyrazole-4-carboxamide is sourced from PubChem (CID 3489398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).