1-(2,4-dichlorophenyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde

C14H8Cl2N2O2 — CID 43324338

IUPAC1-(2,4-dichlorophenyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccc(Cl)cc2Cl)nc1-c1ccco1
InChIInChI=1S/C14H8Cl2N2O2/c15-10-3-4-12(11(16)6-10)18-7-9(8-19)14(17-18)13-2-1-5-20-13/h1-8H
InChIKeyKVAXSWJRNZJIMH-UHFFFAOYSA-N
MW307.14 g/mol
LogP4.25
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde

1-(2,4-dichlorophenyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde (PubChem CID 43324338) has the molecular formula C14H8Cl2N2O2 and a molecular weight of 307.14 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde
PubChem CID43324338
Molecular FormulaC14H8Cl2N2O2
Molecular Weight307.14 g/mol
Exact Mass306.00
IUPAC Name1-(2,4-dichlorophenyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccc(Cl)cc2Cl)nc1-c1ccco1
InChIInChI=1S/C14H8Cl2N2O2/c15-10-3-4-12(11(16)6-10)18-7-9(8-19)14(17-18)13-2-1-5-20-13/h1-8H
InChIKeyKVAXSWJRNZJIMH-UHFFFAOYSA-N
XLogP4.25
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2,4-dichlorophenyl)-3-(furan-2-yl)pyrazole-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-(2,4-dichlorophenyl)-3-pyridin-4-ylpyrazole-4-carbaldehyde
CID 43324340
3-(5-chlorothiophen-3-yl)-1-(2,4-dichlorophenyl)pyrazole-4-carbaldehyde
CID 106758401
1-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde
CID 43141336
1-(3-bromophenyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde
CID 43542689
1-(5-bromo-2-pyridinyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde
CID 65347544
3-(2,4-dichlorophenyl)-1-pyrimidin-2-ylpyrazole-4-carbaldehyde
CID 43531822
1-butyl-3-(furan-2-yl)pyrazole-4-carbaldehyde
CID 61272441
1-cyclohexyl-3-(furan-2-yl)pyrazole-4-carbaldehyde
CID 61271244
1-(1-cyclopropylethyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde
CID 61270554
3-(furan-2-yl)-1-[(3-methylphenyl)methyl]pyrazole-4-carbaldehyde
CID 63275337
3-(3-chlorophenyl)-1-(2-methylphenyl)pyrazole-4-carbaldehyde
CID 43324136
1-(2,4-dichlorophenyl)-3-(4-fluorophenyl)pyrazol-4-amine
CID 83203120

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde (CID 43324338) is 1-(2,4-dichlorophenyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde is O=Cc1cn(-c2ccc(Cl)cc2Cl)nc1-c1ccco1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde?
The InChIKey is KVAXSWJRNZJIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O2/c15-10-3-4-12(11(16)6-10)18-7-9(8-19)14(17-18)13-2-1-5-20-13/h1-8H.
What are the key properties of 1-(2,4-dichlorophenyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde?
1-(2,4-dichlorophenyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde has a molecular weight of 307.14 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 43324338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).