N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-iodo-1H-pyrazole-5-carboxamide

C15H11IN4O2 — CID 135443025

IUPACN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-iodo-1H-pyrazole-5-carboxamide
SMILESO=C(N/N=C/c1c(O)ccc2ccccc12)c1[nH]ncc1I
InChIInChI=1S/C15H11IN4O2/c16-12-8-18-19-14(12)15(22)20-17-7-11-10-4-2-1-3-9(10)5-6-13(11)21/h1-8,21H,(H,18,19)(H,20,22)/b17-7+
InChIKeyIUNWXDPDHLQXPG-REZTVBANSA-N
MW406.18 g/mol
LogP2.64
Rot. Bonds3

About N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-iodo-1H-pyrazole-5-carboxamide

N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-iodo-1H-pyrazole-5-carboxamide (PubChem CID 135443025) has the molecular formula C15H11IN4O2 and a molecular weight of 406.18 g/mol. Its IUPAC name is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-iodo-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-iodo-1H-pyrazole-5-carboxamide
PubChem CID135443025
Molecular FormulaC15H11IN4O2
Molecular Weight406.18 g/mol
Exact Mass405.99
IUPAC NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-iodo-1H-pyrazole-5-carboxamide
SMILESO=C(N/N=C/c1c(O)ccc2ccccc12)c1[nH]ncc1I
InChIInChI=1S/C15H11IN4O2/c16-12-8-18-19-14(12)15(22)20-17-7-11-10-4-2-1-3-9(10)5-6-13(11)21/h1-8,21H,(H,18,19)(H,20,22)/b17-7+
InChIKeyIUNWXDPDHLQXPG-REZTVBANSA-N
XLogP2.64
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.18
LogP ≤ 52.64
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide
CID 5030121
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 136700625
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135615439
4-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135400287
2-N,4-N-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3,5-dimethyl-1H-pyrrole-2,4-dicarboxamide
CID 135699184
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 135781772
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboxamide
CID 135504405
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]quinoline-2-carboxamide
CID 3710730
2-amino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135770382
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 135491092

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-iodo-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-iodo-1H-pyrazole-5-carboxamide (CID 135443025) is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-iodo-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-iodo-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-iodo-1H-pyrazole-5-carboxamide is O=C(N/N=C/c1c(O)ccc2ccccc12)c1[nH]ncc1I.
What is the InChIKey of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-iodo-1H-pyrazole-5-carboxamide?
The InChIKey is IUNWXDPDHLQXPG-REZTVBANSA-N. The full InChI is InChI=1S/C15H11IN4O2/c16-12-8-18-19-14(12)15(22)20-17-7-11-10-4-2-1-3-9(10)5-6-13(11)21/h1-8,21H,(H,18,19)(H,20,22)/b17-7+.
What are the key properties of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-iodo-1H-pyrazole-5-carboxamide?
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-iodo-1H-pyrazole-5-carboxamide has a molecular weight of 406.18 g/mol, XLogP of 2.64, 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-iodo-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 135443025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).