N-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide

C15H16IN5O2 — CID 6341767

IUPACN-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide
SMILESCC(=O)Nc1ccc(/C(C)=N\NC(=O)c2nn(C)cc2I)cc1
InChIInChI=1S/C15H16IN5O2/c1-9(11-4-6-12(7-5-11)17-10(2)22)18-19-15(23)14-13(16)8-21(3)20-14/h4-8H,1-3H3,(H,17,22)(H,19,23)/b18-9-
InChIKeyHEMXBHIHBREACL-NVMNQCDNSA-N
MW425.23 g/mol
LogP2.14
Rot. Bonds4

About N-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide

N-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide (PubChem CID 6341767) has the molecular formula C15H16IN5O2 and a molecular weight of 425.23 g/mol. Its IUPAC name is N-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide
PubChem CID6341767
Molecular FormulaC15H16IN5O2
Molecular Weight425.23 g/mol
Exact Mass425.03
IUPAC NameN-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide
SMILESCC(=O)Nc1ccc(/C(C)=N\NC(=O)c2nn(C)cc2I)cc1
InChIInChI=1S/C15H16IN5O2/c1-9(11-4-6-12(7-5-11)17-10(2)22)18-19-15(23)14-13(16)8-21(3)20-14/h4-8H,1-3H3,(H,17,22)(H,19,23)/b18-9-
InChIKeyHEMXBHIHBREACL-NVMNQCDNSA-N
XLogP2.14
TPSA88.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.23
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-[1-(4-acetamidophenyl)ethylideneamino]-4-amino-1,2,5-oxadiazole-3-carboxamide
CID 781433
N-[(Z)-1-[3-[[(2R)-2-(4-chloro-2-methylphenoxy)propanoyl]amino]phenyl]ethylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide
CID 5431501
4-chloro-1-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]pyrazole-3-carboxamide
CID 5454090
4-acetamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide
CID 6134709
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide
CID 135411998
N-(3,4-difluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 5301131
N-[1-(4-acetamidophenyl)ethylideneamino]-2-chlorobenzamide
CID 1225540
4-bromo-1-methyl-N-(1-naphthalen-2-ylethylideneamino)pyrazole-3-carboxamide
CID 1273648
4-iodo-1-methyl-N-(3-methylbut-2-enyl)pyrazole-3-carboxamide
CID 167783297
N-ethyl-4-iodo-1-methylpyrazole-3-carboxamide
CID 19262123
N-[(E)-furan-2-ylmethylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide
CID 6872092
4-tert-butyl-N-[1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 4061369

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide (CID 6341767) is N-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide is CC(=O)Nc1ccc(/C(C)=N\NC(=O)c2nn(C)cc2I)cc1.
What is the InChIKey of N-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide?
The InChIKey is HEMXBHIHBREACL-NVMNQCDNSA-N. The full InChI is InChI=1S/C15H16IN5O2/c1-9(11-4-6-12(7-5-11)17-10(2)22)18-19-15(23)14-13(16)8-21(3)20-14/h4-8H,1-3H3,(H,17,22)(H,19,23)/b18-9-.
What are the key properties of N-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide?
N-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide has a molecular weight of 425.23 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 6341767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).