1-(3-chlorophenyl)-3-pyridin-2-ylpyrazole-4-carbaldehyde

C15H10ClN3O — CID 43324156

IUPAC1-(3-chlorophenyl)-3-pyridin-2-ylpyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2cccc(Cl)c2)nc1-c1ccccn1
InChIInChI=1S/C15H10ClN3O/c16-12-4-3-5-13(8-12)19-9-11(10-20)15(18-19)14-6-1-2-7-17-14/h1-10H
InChIKeyFHLSMDFMQYHTNN-UHFFFAOYSA-N
MW283.72 g/mol
LogP3.40
Rot. Bonds3

About 1-(3-chlorophenyl)-3-pyridin-2-ylpyrazole-4-carbaldehyde

1-(3-chlorophenyl)-3-pyridin-2-ylpyrazole-4-carbaldehyde (PubChem CID 43324156) has the molecular formula C15H10ClN3O and a molecular weight of 283.72 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-pyridin-2-ylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-pyridin-2-ylpyrazole-4-carbaldehyde
PubChem CID43324156
Molecular FormulaC15H10ClN3O
Molecular Weight283.72 g/mol
Exact Mass283.05
IUPAC Name1-(3-chlorophenyl)-3-pyridin-2-ylpyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2cccc(Cl)c2)nc1-c1ccccn1
InChIInChI=1S/C15H10ClN3O/c16-12-4-3-5-13(8-12)19-9-11(10-20)15(18-19)14-6-1-2-7-17-14/h1-10H
InChIKeyFHLSMDFMQYHTNN-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

1-phenyl-3-pyridin-2-ylpyrazole-4-carbaldehyde
CID 2316430
1-(3-chlorophenyl)-3-pyridin-2-ylpyrazol-4-amine
CID 83216429
3-(4-bromothiophen-2-yl)-1-(3-chlorophenyl)pyrazole-4-carbaldehyde
CID 107354799
1-(3-chlorophenyl)-3-(5-fluoro-3-pyridinyl)pyrazole-4-carbaldehyde
CID 64593870
2-(4-chloro-1-phenylpyrazol-3-yl)pyridine
CID 141352920
3-(3-chlorophenyl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 43324124
3-(2,4-dichlorophenyl)-1-pyrimidin-2-ylpyrazole-4-carbaldehyde
CID 43531822
3-(3-chlorophenyl)-1-(2-methylphenyl)pyrazole-4-carbaldehyde
CID 43324136
1-(4-chloro-3-fluorophenyl)-3-pyrazin-2-ylpyrazole-4-carbaldehyde
CID 79129114
1,3-bis(3-bromophenyl)pyrazole-4-carbaldehyde
CID 43542676
1-(3-bromophenyl)-3-pyridin-2-ylpyrazole-4-carboxylic acid
CID 43542706
1-(3-chlorophenyl)-3-pent-4-en-2-ylpyrazole-4-carbaldehyde
CID 63162667

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-pyridin-2-ylpyrazole-4-carbaldehyde?
The IUPAC name of 1-(3-chlorophenyl)-3-pyridin-2-ylpyrazole-4-carbaldehyde (CID 43324156) is 1-(3-chlorophenyl)-3-pyridin-2-ylpyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(3-chlorophenyl)-3-pyridin-2-ylpyrazole-4-carbaldehyde?
The canonical SMILES for 1-(3-chlorophenyl)-3-pyridin-2-ylpyrazole-4-carbaldehyde is O=Cc1cn(-c2cccc(Cl)c2)nc1-c1ccccn1.
What is the InChIKey of 1-(3-chlorophenyl)-3-pyridin-2-ylpyrazole-4-carbaldehyde?
The InChIKey is FHLSMDFMQYHTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O/c16-12-4-3-5-13(8-12)19-9-11(10-20)15(18-19)14-6-1-2-7-17-14/h1-10H.
What are the key properties of 1-(3-chlorophenyl)-3-pyridin-2-ylpyrazole-4-carbaldehyde?
1-(3-chlorophenyl)-3-pyridin-2-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 1-(3-chlorophenyl)-3-pyridin-2-ylpyrazole-4-carbaldehyde is sourced from PubChem (CID 43324156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).