5-chloro-1,3-diphenylpyrazole-4-carbaldehyde

C16H11ClN2O — CID 736659

IUPAC5-chloro-1,3-diphenylpyrazole-4-carbaldehyde
SMILESO=Cc1c(-c2ccccc2)nn(-c2ccccc2)c1Cl
InChIInChI=1S/C16H11ClN2O/c17-16-14(11-20)15(12-7-3-1-4-8-12)18-19(16)13-9-5-2-6-10-13/h1-11H
InChIKeyBORJDGPYDJKXPV-UHFFFAOYSA-N
MW282.73 g/mol
LogP4.01
Rot. Bonds3

About 5-chloro-1,3-diphenylpyrazole-4-carbaldehyde

5-chloro-1,3-diphenylpyrazole-4-carbaldehyde (PubChem CID 736659) has the molecular formula C16H11ClN2O and a molecular weight of 282.73 g/mol. Its IUPAC name is 5-chloro-1,3-diphenylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-chloro-1,3-diphenylpyrazole-4-carbaldehyde
PubChem CID736659
Molecular FormulaC16H11ClN2O
Molecular Weight282.73 g/mol
Exact Mass282.06
IUPAC Name5-chloro-1,3-diphenylpyrazole-4-carbaldehyde
SMILESO=Cc1c(-c2ccccc2)nn(-c2ccccc2)c1Cl
InChIInChI=1S/C16H11ClN2O/c17-16-14(11-20)15(12-7-3-1-4-8-12)18-19(16)13-9-5-2-6-10-13/h1-11H
InChIKeyBORJDGPYDJKXPV-UHFFFAOYSA-N
XLogP4.01
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-diphenylpyrazole-4-carbaldehyde?
The IUPAC name of 5-chloro-1,3-diphenylpyrazole-4-carbaldehyde (CID 736659) is 5-chloro-1,3-diphenylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-chloro-1,3-diphenylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-chloro-1,3-diphenylpyrazole-4-carbaldehyde is O=Cc1c(-c2ccccc2)nn(-c2ccccc2)c1Cl.
What is the InChIKey of 5-chloro-1,3-diphenylpyrazole-4-carbaldehyde?
The InChIKey is BORJDGPYDJKXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O/c17-16-14(11-20)15(12-7-3-1-4-8-12)18-19(16)13-9-5-2-6-10-13/h1-11H.
What are the key properties of 5-chloro-1,3-diphenylpyrazole-4-carbaldehyde?
5-chloro-1,3-diphenylpyrazole-4-carbaldehyde has a molecular weight of 282.73 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-diphenylpyrazole-4-carbaldehyde is sourced from PubChem (CID 736659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).