1-(2,4-dichlorophenyl)-5-[(3-methoxyphenyl)methyl]pyrazole-3-carbaldehyde

C18H14Cl2N2O2 — CID 147223869

IUPAC1-(2,4-dichlorophenyl)-5-[(3-methoxyphenyl)methyl]pyrazole-3-carbaldehyde
SMILESCOc1cccc(Cc2cc(C=O)nn2-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H14Cl2N2O2/c1-24-16-4-2-3-12(8-16)7-15-10-14(11-23)21-22(15)18-6-5-13(19)9-17(18)20/h2-6,8-11H,7H2,1H3
InChIKeyCHPGSXIHQZYBAW-UHFFFAOYSA-N
MW361.23 g/mol
LogP4.59
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-5-[(3-methoxyphenyl)methyl]pyrazole-3-carbaldehyde

1-(2,4-dichlorophenyl)-5-[(3-methoxyphenyl)methyl]pyrazole-3-carbaldehyde (PubChem CID 147223869) has the molecular formula C18H14Cl2N2O2 and a molecular weight of 361.23 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-5-[(3-methoxyphenyl)methyl]pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-5-[(3-methoxyphenyl)methyl]pyrazole-3-carbaldehyde
PubChem CID147223869
Molecular FormulaC18H14Cl2N2O2
Molecular Weight361.23 g/mol
Exact Mass360.04
IUPAC Name1-(2,4-dichlorophenyl)-5-[(3-methoxyphenyl)methyl]pyrazole-3-carbaldehyde
SMILESCOc1cccc(Cc2cc(C=O)nn2-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H14Cl2N2O2/c1-24-16-4-2-3-12(8-16)7-15-10-14(11-23)21-22(15)18-6-5-13(19)9-17(18)20/h2-6,8-11H,7H2,1H3
InChIKeyCHPGSXIHQZYBAW-UHFFFAOYSA-N
XLogP4.59
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 54.59
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-(2-chlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde
CID 149478865
2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbaldehyde
CID 175512322
6-chloro-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117130393
5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbaldehyde
CID 54077138
1-(2,4-dichlorophenyl)-3-(3-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4031121
3,5-dichloro-1-(2,4-dichlorophenyl)pyrazole-4-carbaldehyde
CID 87406531
benzaldehyde;1-(2-chlorophenyl)-5-[(3-methoxyphenoxy)methyl]-3-(trifluoromethyl)pyrazole
CID 143695452
2-(3-methoxyphenyl)-1-(2,4,6-trichlorophenyl)ethanone
CID 105348903
2-(2,4-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495803
1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 103047948
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,4-dichlorobenzene
CID 63444300
1-(2,4-dichlorophenyl)-3-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 3992390

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-5-[(3-methoxyphenyl)methyl]pyrazole-3-carbaldehyde?
The IUPAC name of 1-(2,4-dichlorophenyl)-5-[(3-methoxyphenyl)methyl]pyrazole-3-carbaldehyde (CID 147223869) is 1-(2,4-dichlorophenyl)-5-[(3-methoxyphenyl)methyl]pyrazole-3-carbaldehyde.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-5-[(3-methoxyphenyl)methyl]pyrazole-3-carbaldehyde?
The canonical SMILES for 1-(2,4-dichlorophenyl)-5-[(3-methoxyphenyl)methyl]pyrazole-3-carbaldehyde is COc1cccc(Cc2cc(C=O)nn2-c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-5-[(3-methoxyphenyl)methyl]pyrazole-3-carbaldehyde?
The InChIKey is CHPGSXIHQZYBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2/c1-24-16-4-2-3-12(8-16)7-15-10-14(11-23)21-22(15)18-6-5-13(19)9-17(18)20/h2-6,8-11H,7H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-5-[(3-methoxyphenyl)methyl]pyrazole-3-carbaldehyde?
1-(2,4-dichlorophenyl)-5-[(3-methoxyphenyl)methyl]pyrazole-3-carbaldehyde has a molecular weight of 361.23 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-5-[(3-methoxyphenyl)methyl]pyrazole-3-carbaldehyde is sourced from PubChem (CID 147223869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).