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

C10H7ClN2O — CID 25224140

IUPAC3-(4-chlorophenyl)-1H-pyrazole-5-carbaldehyde
SMILESO=Cc1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C10H7ClN2O/c11-8-3-1-7(2-4-8)10-5-9(6-14)12-13-10/h1-6H,(H,12,13)
InChIKeyWBNCITQIWJKKJX-UHFFFAOYSA-N
MW206.63 g/mol
LogP2.54
Rot. Bonds2

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

3-(4-chlorophenyl)-1H-pyrazole-5-carbaldehyde (PubChem CID 25224140) has the molecular formula C10H7ClN2O and a molecular weight of 206.63 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1H-pyrazole-5-carbaldehyde.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1H-pyrazole-5-carbaldehyde
PubChem CID25224140
Molecular FormulaC10H7ClN2O
Molecular Weight206.63 g/mol
Exact Mass206.02
IUPAC Name3-(4-chlorophenyl)-1H-pyrazole-5-carbaldehyde
SMILESO=Cc1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C10H7ClN2O/c11-8-3-1-7(2-4-8)10-5-9(6-14)12-13-10/h1-6H,(H,12,13)
InChIKeyWBNCITQIWJKKJX-UHFFFAOYSA-N
XLogP2.54
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1H-pyrazole-5-carbaldehyde?
The IUPAC name of 3-(4-chlorophenyl)-1H-pyrazole-5-carbaldehyde (CID 25224140) is 3-(4-chlorophenyl)-1H-pyrazole-5-carbaldehyde.
What is the SMILES notation for 3-(4-chlorophenyl)-1H-pyrazole-5-carbaldehyde?
The canonical SMILES for 3-(4-chlorophenyl)-1H-pyrazole-5-carbaldehyde is O=Cc1cc(-c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 3-(4-chlorophenyl)-1H-pyrazole-5-carbaldehyde?
The InChIKey is WBNCITQIWJKKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O/c11-8-3-1-7(2-4-8)10-5-9(6-14)12-13-10/h1-6H,(H,12,13).
What are the key properties of 3-(4-chlorophenyl)-1H-pyrazole-5-carbaldehyde?
3-(4-chlorophenyl)-1H-pyrazole-5-carbaldehyde has a molecular weight of 206.63 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1H-pyrazole-5-carbaldehyde is sourced from PubChem (CID 25224140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).