N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide

C16H13IN4O2 — CID 135537502

IUPACN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide
SMILESCn1cc(I)c(C(=O)N/N=C/c2c(O)ccc3ccccc23)n1
InChIInChI=1S/C16H13IN4O2/c1-21-9-13(17)15(20-21)16(23)19-18-8-12-11-5-3-2-4-10(11)6-7-14(12)22/h2-9,22H,1H3,(H,19,23)/b18-8+
InChIKeyACOLRDLWPQREJA-QGMBQPNBSA-N
MW420.21 g/mol
LogP2.65
Rot. Bonds3

About N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide

N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide (PubChem CID 135537502) has the molecular formula C16H13IN4O2 and a molecular weight of 420.21 g/mol. Its IUPAC name is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide
PubChem CID135537502
Molecular FormulaC16H13IN4O2
Molecular Weight420.21 g/mol
Exact Mass420.01
IUPAC NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide
SMILESCn1cc(I)c(C(=O)N/N=C/c2c(O)ccc3ccccc23)n1
InChIInChI=1S/C16H13IN4O2/c1-21-9-13(17)15(20-21)16(23)19-18-8-12-11-5-3-2-4-10(11)6-7-14(12)22/h2-9,22H,1H3,(H,19,23)/b18-8+
InChIKeyACOLRDLWPQREJA-QGMBQPNBSA-N
XLogP2.65
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.21
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-iodo-1-methylpyrazole-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'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]-1-methyl-1H-pyrazole-5-carbohydrazide
CID 135550918
4-bromo-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]-2-methylpyrazole-3-carboxamide
CID 6874805
4-bromo-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]-1H-pyrazole-5-carbohydrazide
CID 135517071
(e)-3-(3,5-Dimethyl-1h-pyrazol-1-yl)-n'-((2-hydroxynaphthalen-1-yl)methylene)propanehydrazide
CID 135541142
N-[(E)-(2-hydroxy-1-naphthyl)methyleneamino]-1H-pyrazole-5-carboxamide
CID 135400494
(E)-N'-((2-hydroxynaphthalen-1-yl)methylene)-3-methyl-1H-pyrazole-5-carbohydrazide
CID 135549922
4-bromo-N'-[(2-hydroxy-1-naphthyl)methylene]-1,5-dimethyl-1H-pyrazole-3-carbohydrazide
CID 135533649
N'-[(2-hydroxy-1-naphthyl)methylene]-2-(3-methyl-1H-pyrazol-1-yl)acetohydrazide
CID 135533788
4-bromo-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 1547703
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 774351
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2344923
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 135576769

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide (CID 135537502) is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide is Cn1cc(I)c(C(=O)N/N=C/c2c(O)ccc3ccccc23)n1.
What is the InChIKey of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide?
The InChIKey is ACOLRDLWPQREJA-QGMBQPNBSA-N. The full InChI is InChI=1S/C16H13IN4O2/c1-21-9-13(17)15(20-21)16(23)19-18-8-12-11-5-3-2-4-10(11)6-7-14(12)22/h2-9,22H,1H3,(H,19,23)/b18-8+.
What are the key properties of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide?
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide has a molecular weight of 420.21 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 135537502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).