4-chloro-3-(4-chlorophenyl)-1H-pyrazole-5-carbaldehyde

C10H6Cl2N2O — CID 83912637

IUPAC4-chloro-3-(4-chlorophenyl)-1H-pyrazole-5-carbaldehyde
SMILESO=Cc1[nH]nc(-c2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C10H6Cl2N2O/c11-7-3-1-6(2-4-7)10-9(12)8(5-15)13-14-10/h1-5H,(H,13,14)
InChIKeyZTIKRFMIPJEPSP-UHFFFAOYSA-N
MW241.08 g/mol
LogP3.20
Rot. Bonds2

About 4-chloro-3-(4-chlorophenyl)-1H-pyrazole-5-carbaldehyde

4-chloro-3-(4-chlorophenyl)-1H-pyrazole-5-carbaldehyde (PubChem CID 83912637) has the molecular formula C10H6Cl2N2O and a molecular weight of 241.08 g/mol. Its IUPAC name is 4-chloro-3-(4-chlorophenyl)-1H-pyrazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-3-(4-chlorophenyl)-1H-pyrazole-5-carbaldehyde
PubChem CID83912637
Molecular FormulaC10H6Cl2N2O
Molecular Weight241.08 g/mol
Exact Mass239.99
IUPAC Name4-chloro-3-(4-chlorophenyl)-1H-pyrazole-5-carbaldehyde
SMILESO=Cc1[nH]nc(-c2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C10H6Cl2N2O/c11-7-3-1-6(2-4-7)10-9(12)8(5-15)13-14-10/h1-5H,(H,13,14)
InChIKeyZTIKRFMIPJEPSP-UHFFFAOYSA-N
XLogP3.20
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-(4-fluorophenyl)-1H-pyrazole-5-carbaldehyde
CID 83911072
4-chloro-3-(4-methoxyphenyl)-1H-pyrazole-5-carbaldehyde
CID 83912160
4-chloro-3-(3-hydroxyphenyl)-1H-pyrazole-5-carbaldehyde
CID 84687952
4-chloro-3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid
CID 56762534
4-(6-chloro-1H-indazol-3-yl)benzaldehyde
CID 155424829
4-chloro-3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbaldehyde
CID 83911949
3-(4-chlorophenyl)-4-methyl-1H-pyridazin-6-one
CID 14666394
4-(4-chlorophenyl)-5-methyl-1H-imidazole-2-carbaldehyde
CID 63926384
5-bromo-3-(4-chlorophenyl)-4-methyl-1H-pyrazole
CID 82379095
4-(4-chlorophenyl)-2H-phthalazine-1-thione
CID 4738180
5-(4-chlorophenyl)-2H-triazole-4-carboxylic acid
CID 82372862
1,4-dichlorobenzene;formyl chloride
CID 174264230

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-chlorophenyl)-1H-pyrazole-5-carbaldehyde?
The IUPAC name of 4-chloro-3-(4-chlorophenyl)-1H-pyrazole-5-carbaldehyde (CID 83912637) is 4-chloro-3-(4-chlorophenyl)-1H-pyrazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-3-(4-chlorophenyl)-1H-pyrazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-3-(4-chlorophenyl)-1H-pyrazole-5-carbaldehyde is O=Cc1[nH]nc(-c2ccc(Cl)cc2)c1Cl.
What is the InChIKey of 4-chloro-3-(4-chlorophenyl)-1H-pyrazole-5-carbaldehyde?
The InChIKey is ZTIKRFMIPJEPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O/c11-7-3-1-6(2-4-7)10-9(12)8(5-15)13-14-10/h1-5H,(H,13,14).
What are the key properties of 4-chloro-3-(4-chlorophenyl)-1H-pyrazole-5-carbaldehyde?
4-chloro-3-(4-chlorophenyl)-1H-pyrazole-5-carbaldehyde has a molecular weight of 241.08 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(4-chlorophenyl)-1H-pyrazole-5-carbaldehyde is sourced from PubChem (CID 83912637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).