1-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde

C15H10Cl2N2OS — CID 43141336

IUPAC1-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde
SMILESCc1ccc(-c2nn(-c3ccc(Cl)cc3Cl)cc2C=O)s1
InChIInChI=1S/C15H10Cl2N2OS/c1-9-2-5-14(21-9)15-10(8-20)7-19(18-15)13-4-3-11(16)6-12(13)17/h2-8H,1H3
InChIKeyROPJKXSYFACKIN-UHFFFAOYSA-N
MW337.23 g/mol
LogP5.03
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde

1-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde (PubChem CID 43141336) has the molecular formula C15H10Cl2N2OS and a molecular weight of 337.23 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde
PubChem CID43141336
Molecular FormulaC15H10Cl2N2OS
Molecular Weight337.23 g/mol
Exact Mass335.99
IUPAC Name1-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde
SMILESCc1ccc(-c2nn(-c3ccc(Cl)cc3Cl)cc2C=O)s1
InChIInChI=1S/C15H10Cl2N2OS/c1-9-2-5-14(21-9)15-10(8-20)7-19(18-15)13-4-3-11(16)6-12(13)17/h2-8H,1H3
InChIKeyROPJKXSYFACKIN-UHFFFAOYSA-N
XLogP5.03
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.23
LogP ≤ 55.03
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-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine
CID 83216046
1-(2,4-dichlorophenyl)-3-pyridin-4-ylpyrazole-4-carbaldehyde
CID 43324340
3-(5-chlorothiophen-3-yl)-1-(2,4-dichlorophenyl)pyrazole-4-carbaldehyde
CID 106758401
1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde
CID 43141286
1-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde
CID 43324186
1-(2,4-dichlorophenyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde
CID 43324338
1-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carbaldehyde
CID 43439093
3-(5-bromothiophen-2-yl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 63567158
3-(4-bromothiophen-2-yl)-1-(3-chloro-4-methylphenyl)pyrazole-4-carbaldehyde
CID 107354808
3-(4-bromothiophen-2-yl)-1-(3-chlorophenyl)pyrazole-4-carbaldehyde
CID 107354799
3-(3-chlorophenyl)-1-(2-methylphenyl)pyrazole-4-carbaldehyde
CID 43324136
3-(2,4-dichlorophenyl)-1-pyrimidin-2-ylpyrazole-4-carbaldehyde
CID 43531822

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde (CID 43141336) is 1-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde is Cc1ccc(-c2nn(-c3ccc(Cl)cc3Cl)cc2C=O)s1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde?
The InChIKey is ROPJKXSYFACKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2OS/c1-9-2-5-14(21-9)15-10(8-20)7-19(18-15)13-4-3-11(16)6-12(13)17/h2-8H,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde?
1-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde has a molecular weight of 337.23 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 43141336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).