1-(4-iodophenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde

C15H10IN3O — CID 59177849

IUPAC1-(4-iodophenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccc(I)cc2)nc1-c1cccnc1
InChIInChI=1S/C15H10IN3O/c16-13-3-5-14(6-4-13)19-9-12(10-20)15(18-19)11-2-1-7-17-8-11/h1-10H
InChIKeyGINNDIJUACJPHR-UHFFFAOYSA-N
MW375.17 g/mol
LogP3.35
Rot. Bonds3

About 1-(4-iodophenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde

1-(4-iodophenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde (PubChem CID 59177849) has the molecular formula C15H10IN3O and a molecular weight of 375.17 g/mol. Its IUPAC name is 1-(4-iodophenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(4-iodophenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde
PubChem CID59177849
Molecular FormulaC15H10IN3O
Molecular Weight375.17 g/mol
Exact Mass374.99
IUPAC Name1-(4-iodophenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccc(I)cc2)nc1-c1cccnc1
InChIInChI=1S/C15H10IN3O/c16-13-3-5-14(6-4-13)19-9-12(10-20)15(18-19)11-2-1-7-17-8-11/h1-10H
InChIKeyGINNDIJUACJPHR-UHFFFAOYSA-N
XLogP3.35
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.17
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-(4-iodophenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde 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

1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde
CID 43324141
1-(2,4-difluorophenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde
CID 3862147
1-(4-methylphenyl)-3-phenylpyrazole-4-carbaldehyde
CID 3827316
1-(4-phenylphenyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one
CID 2876111
N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide
CID 6899097
4-methyl-2,6-bis[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylidene]cyclohexan-1-one
CID 4201964
(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-pyridin-3-ylprop-2-enamide
CID 26592504
2-fluoro-N'-[(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]benzohydrazide
CID 26799380
3-(4-chloro-1-phenylpyrazol-3-yl)pyridine
CID 141352949
(E)-N-tert-butyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
CID 78777734
1-phenyl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-pyridin-3-ylpyrazole-4-carboxamide
CID 2319199
(E)-3-(1,3-diphenylpyrazol-4-yl)-1-pyridin-3-ylprop-2-en-1-one
CID 8854158

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde?
The IUPAC name of 1-(4-iodophenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde (CID 59177849) is 1-(4-iodophenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(4-iodophenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde?
The canonical SMILES for 1-(4-iodophenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde is O=Cc1cn(-c2ccc(I)cc2)nc1-c1cccnc1.
What is the InChIKey of 1-(4-iodophenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde?
The InChIKey is GINNDIJUACJPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10IN3O/c16-13-3-5-14(6-4-13)19-9-12(10-20)15(18-19)11-2-1-7-17-8-11/h1-10H.
What are the key properties of 1-(4-iodophenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde?
1-(4-iodophenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde has a molecular weight of 375.17 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde is sourced from PubChem (CID 59177849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).