N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C19H18N4O2 — CID 135411740

IUPACN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(N/N=C/c1c(O)ccc2ccccc12)c1n[nH]c2c1CCCC2
InChIInChI=1S/C19H18N4O2/c24-17-10-9-12-5-1-2-6-13(12)15(17)11-20-23-19(25)18-14-7-3-4-8-16(14)21-22-18/h1-2,5-6,9-11,24H,3-4,7-8H2,(H,21,22)(H,23,25)/b20-11+
InChIKeyNWKGDRAXKIYEOI-RGVLZGJSSA-N
MW334.38 g/mol
LogP2.91
Rot. Bonds3

About N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 135411740) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID135411740
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(N/N=C/c1c(O)ccc2ccccc12)c1n[nH]c2c1CCCC2
InChIInChI=1S/C19H18N4O2/c24-17-10-9-12-5-1-2-6-13(12)15(17)11-20-23-19(25)18-14-7-3-4-8-16(14)21-22-18/h1-2,5-6,9-11,24H,3-4,7-8H2,(H,21,22)(H,23,25)/b20-11+
InChIKeyNWKGDRAXKIYEOI-RGVLZGJSSA-N
XLogP2.91
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(2-hydroxynaphthalen-1-yl)methylidene]-3-(naphthalen-2-yl)-1H-pyrazole-5-carbohydrazide
CID 135515522
6-(2-Ethyl-4-Hydroxyphenyl)-1h-Indazole-3-Carboxamide
CID 135567294
N'-[(E)-(2-methoxynaphthalen-1-yl)methylidene]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 5344275
N'-[(E)-(3-methoxyphenyl)methylidene]-4,5-dihydro-1H-benzo[g]indazole-3-carbohydrazide
CID 6862143
(E)-N'-((2-hydroxynaphthalen-1-yl)methylene)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbohydrazide
CID 135458722
N'-(5-tert-butyl-2-hydroxybenzylidene)-3-methyl-1H-pyrazole-5-carbohydrazide
CID 135473308
4-bromo-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]-1H-pyrazole-5-carbohydrazide
CID 135517071
(E)-N'-(4-hydroxy-3-methoxybenzylidene)-4,5-dihydro-1H-benzo[g]indazole-3-carbohydrazide
CID 135517133
N'-[(1E)-(2-hydroxy-3-methoxyphenyl)methylene]-4,5-dihydro-1H-benzo[g]indazole-3-carbohydrazide
CID 135521476
N'-[(E)-(2-ethoxynaphthalen-1-yl)methylidene]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 9556534
N-[(E)-(2-hydroxy-1-naphthyl)methyleneamino]-1H-pyrazole-5-carboxamide
CID 135400494
N'-[(1E)-(2,5-dimethoxyphenyl)methylene]-4,5-dihydro-1H-benzo[g]indazole-3-carbohydrazide
CID 6862151

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 135411740) is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is O=C(N/N=C/c1c(O)ccc2ccccc12)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is NWKGDRAXKIYEOI-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-17-10-9-12-5-1-2-6-13(12)15(17)11-20-23-19(25)18-14-7-3-4-8-16(14)21-22-18/h1-2,5-6,9-11,24H,3-4,7-8H2,(H,21,22)(H,23,25)/b20-11+.
What are the key properties of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.91, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 135411740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).