5-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde

C14H15ClN2O — CID 114844619

IUPAC5-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde
SMILESCCc1c(C)nn(-c2ccc(Cl)cc2C=O)c1C
InChIInChI=1S/C14H15ClN2O/c1-4-13-9(2)16-17(10(13)3)14-6-5-12(15)7-11(14)8-18/h5-8H,4H2,1-3H3
InChIKeyIGOBVVRDDBVQGN-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.52
Rot. Bonds3

About 5-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde

5-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde (PubChem CID 114844619) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 5-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde.

Molecular Properties

Compound Name5-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde
PubChem CID114844619
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name5-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde
SMILESCCc1c(C)nn(-c2ccc(Cl)cc2C=O)c1C
InChIInChI=1S/C14H15ClN2O/c1-4-13-9(2)16-17(10(13)3)14-6-5-12(15)7-11(14)8-18/h5-8H,4H2,1-3H3
InChIKeyIGOBVVRDDBVQGN-UHFFFAOYSA-N
XLogP3.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)benzaldehyde
CID 114844627
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde
CID 61238668
1-[5-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]butan-2-amine
CID 114862477
1-(4-chlorophenyl)-4-ethyl-3,5-dimethylpyrazole
CID 50888250
4-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde
CID 61238841
1-[1-(4-chloro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 84760315
methyl 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetate
CID 61381135
N-[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
CID 79220337
1-(2,3-dichlorophenyl)-4-ethyl-3,5-dimethylpyrazole
CID 50888272
1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone
CID 61237598
5-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylbenzenesulfonamide
CID 103287594
1-[3-bromo-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone
CID 55131104

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde?
The IUPAC name of 5-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde (CID 114844619) is 5-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde.
What is the SMILES notation for 5-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde?
The canonical SMILES for 5-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde is CCc1c(C)nn(-c2ccc(Cl)cc2C=O)c1C.
What is the InChIKey of 5-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde?
The InChIKey is IGOBVVRDDBVQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-4-13-9(2)16-17(10(13)3)14-6-5-12(15)7-11(14)8-18/h5-8H,4H2,1-3H3.
What are the key properties of 5-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde?
5-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde has a molecular weight of 262.74 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde is sourced from PubChem (CID 114844619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).