N-[(E)-(4-hydroxyphenyl)methylideneamino]-1H-indazole-3-carboxamide

C15H12N4O2 — CID 135740342

IUPACN-[(E)-(4-hydroxyphenyl)methylideneamino]-1H-indazole-3-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1)c1n[nH]c2ccccc12
InChIInChI=1S/C15H12N4O2/c20-11-7-5-10(6-8-11)9-16-19-15(21)14-12-3-1-2-4-13(12)17-18-14/h1-9,20H,(H,17,18)(H,19,21)/b16-9+
InChIKeyLZDIRIPXHGUSPN-CXUHLZMHSA-N
MW280.29 g/mol
LogP2.03
Rot. Bonds3

About N-[(E)-(4-hydroxyphenyl)methylideneamino]-1H-indazole-3-carboxamide

N-[(E)-(4-hydroxyphenyl)methylideneamino]-1H-indazole-3-carboxamide (PubChem CID 135740342) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-[(E)-(4-hydroxyphenyl)methylideneamino]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-1H-indazole-3-carboxamide
PubChem CID135740342
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-1H-indazole-3-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1)c1n[nH]c2ccccc12
InChIInChI=1S/C15H12N4O2/c20-11-7-5-10(6-8-11)9-16-19-15(21)14-12-3-1-2-4-13(12)17-18-14/h1-9,20H,(H,17,18)(H,19,21)/b16-9+
InChIKeyLZDIRIPXHGUSPN-CXUHLZMHSA-N
XLogP2.03
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[(Z)-(4-anilinophenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 7530707
N-[(4-hydroxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 760671
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 7912856
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 135594504
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
CID 136627449
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 135704390
3-(2-chlorophenyl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 136851853
N-[(4-hydroxyphenyl)methylideneamino]-4-oxo-3-propylphthalazine-1-carboxamide
CID 4848282
N-[(Z)-(3-methylphenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 9177076
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 8929267
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 136661498
1-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-[(E)-(4-hydroxyphenyl)methylideneamino]urea
CID 135408538

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-1H-indazole-3-carboxamide?
The IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-1H-indazole-3-carboxamide (CID 135740342) is N-[(E)-(4-hydroxyphenyl)methylideneamino]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(E)-(4-hydroxyphenyl)methylideneamino]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(E)-(4-hydroxyphenyl)methylideneamino]-1H-indazole-3-carboxamide is O=C(N/N=C/c1ccc(O)cc1)c1n[nH]c2ccccc12.
What is the InChIKey of N-[(E)-(4-hydroxyphenyl)methylideneamino]-1H-indazole-3-carboxamide?
The InChIKey is LZDIRIPXHGUSPN-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H12N4O2/c20-11-7-5-10(6-8-11)9-16-19-15(21)14-12-3-1-2-4-13(12)17-18-14/h1-9,20H,(H,17,18)(H,19,21)/b16-9+.
What are the key properties of N-[(E)-(4-hydroxyphenyl)methylideneamino]-1H-indazole-3-carboxamide?
N-[(E)-(4-hydroxyphenyl)methylideneamino]-1H-indazole-3-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxyphenyl)methylideneamino]-1H-indazole-3-carboxamide is sourced from PubChem (CID 135740342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).