5-chloro-1-phenyl-3-pyridin-4-ylpyrazole-4-carbaldehyde

C15H10ClN3O — CID 86037887

IUPAC5-chloro-1-phenyl-3-pyridin-4-ylpyrazole-4-carbaldehyde
SMILESO=Cc1c(-c2ccncc2)nn(-c2ccccc2)c1Cl
InChIInChI=1S/C15H10ClN3O/c16-15-13(10-20)14(11-6-8-17-9-7-11)18-19(15)12-4-2-1-3-5-12/h1-10H
InChIKeyWKXHFCPFTOBSME-UHFFFAOYSA-N
MW283.72 g/mol
LogP3.40
Rot. Bonds3

About 5-chloro-1-phenyl-3-pyridin-4-ylpyrazole-4-carbaldehyde

5-chloro-1-phenyl-3-pyridin-4-ylpyrazole-4-carbaldehyde (PubChem CID 86037887) has the molecular formula C15H10ClN3O and a molecular weight of 283.72 g/mol. Its IUPAC name is 5-chloro-1-phenyl-3-pyridin-4-ylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-chloro-1-phenyl-3-pyridin-4-ylpyrazole-4-carbaldehyde
PubChem CID86037887
Molecular FormulaC15H10ClN3O
Molecular Weight283.72 g/mol
Exact Mass283.05
IUPAC Name5-chloro-1-phenyl-3-pyridin-4-ylpyrazole-4-carbaldehyde
SMILESO=Cc1c(-c2ccncc2)nn(-c2ccccc2)c1Cl
InChIInChI=1S/C15H10ClN3O/c16-15-13(10-20)14(11-6-8-17-9-7-11)18-19(15)12-4-2-1-3-5-12/h1-10H
InChIKeyWKXHFCPFTOBSME-UHFFFAOYSA-N
XLogP3.40
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-1,3-diphenylpyrazole-4-carbaldehyde
CID 736659
5-chloro-3-phenyl-1-pyrazin-2-ylpyrazole-4-carbaldehyde
CID 81042710
5-chloro-1-(2-methylphenyl)-3-phenylpyrazole-4-carbaldehyde
CID 43328214
5-chloro-4-[(E)-2-nitroethenyl]-1,3-diphenylpyrazole
CID 91927842
5-chloro-3-ethyl-1-pyridin-4-ylpyrazole-4-carbaldehyde
CID 43543114
5-chloro-4-methyl-1,3-diphenylpyrazole
CID 104847504
5-chloro-3-(methoxymethyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde
CID 62320650
5-(2,5-dichlorophenoxy)-1,3-diphenylpyrazole-4-carbaldehyde
CID 4268250
3-chloro-1-pyridin-4-ylisoquinoline-4-carbaldehyde
CID 23467882
1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carbaldehyde
CID 72545568
5-bromo-3-(2,3-dichlorophenyl)-1-phenylpyrazole-4-carbaldehyde
CID 87406923
5-(2,6-dichlorophenyl)-2,4-diphenylpyrazole-3-carbaldehyde
CID 45258841

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-phenyl-3-pyridin-4-ylpyrazole-4-carbaldehyde?
The IUPAC name of 5-chloro-1-phenyl-3-pyridin-4-ylpyrazole-4-carbaldehyde (CID 86037887) is 5-chloro-1-phenyl-3-pyridin-4-ylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-chloro-1-phenyl-3-pyridin-4-ylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-chloro-1-phenyl-3-pyridin-4-ylpyrazole-4-carbaldehyde is O=Cc1c(-c2ccncc2)nn(-c2ccccc2)c1Cl.
What is the InChIKey of 5-chloro-1-phenyl-3-pyridin-4-ylpyrazole-4-carbaldehyde?
The InChIKey is WKXHFCPFTOBSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O/c16-15-13(10-20)14(11-6-8-17-9-7-11)18-19(15)12-4-2-1-3-5-12/h1-10H.
What are the key properties of 5-chloro-1-phenyl-3-pyridin-4-ylpyrazole-4-carbaldehyde?
5-chloro-1-phenyl-3-pyridin-4-ylpyrazole-4-carbaldehyde has a molecular weight of 283.72 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-phenyl-3-pyridin-4-ylpyrazole-4-carbaldehyde is sourced from PubChem (CID 86037887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).